N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea

C70H92N10O11 — CID 158339121

About N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea

N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea (PubChem CID 158339121) has the molecular formula C70H92N10O11 and a molecular weight of 1249.56 g/mol. Its IUPAC name is N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea.

Molecular Properties

• Compound Name: N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea
• PubChem CID: 158339121
• Molecular Formula: C70H92N10O11
• Molecular Weight: 1249.56 g/mol
• Exact Mass: 1248.69
• IUPAC Name: N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea
• SMILES: CC(C)CCN(Cc1ccco1)C(=O)c1noc2c1CC(C)CC2.CC1CCc2onc(C(=O)N(CCN(C)C)Cc3ccco3)c2C1.CCCCN(Cc1ccco1)C(=O)c1noc2c1CC(C)CC2.Cc1ccccc1NC(=O)Nc1noc2c1CCCC2
• InChI: InChI=1S/C19H26N2O3.C18H25N3O3.C18H24N2O3.C15H17N3O2/c1-13(2)8-9-21(12-15-5-4-10-23-15)19(22)18-16-11-14(3)6-7-17(16)24-20-18;1-13-6-7-16-15(11-13)17(19-24-16)18(22)21(9-8-20(2)3)12-14-5-4-10-23-14;1-3-4-9-20(12-14-6-5-10-22-14)18(21)17-15-11-13(2)7-8-16(15)23-19-17;1-10-6-2-4-8-12(10)16-15(19)17-14-11-7-3-5-9-13(11)20-18-14/h4-5,10,13-14H,6-9,11-12H2,1-3H3;4-5,10,13H,6-9,11-12H2,1-3H3;5-6,10,13H,3-4,7-9,11-12H2,1-2H3;2,4,6,8H,3,5,7,9H2,1H3,(H2,16,17,18,19)
• InChIKey: GQYFZQJBOOPYFZ-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 248.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1249.56
LogP ≤ 5	14.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea?

The IUPAC name of N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea (CID 158339121) is N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea.

What is the SMILES notation for N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea?

The canonical SMILES for N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea is CC(C)CCN(Cc1ccco1)C(=O)c1noc2c1CC(C)CC2.CC1CCc2onc(C(=O)N(CCN(C)C)Cc3ccco3)c2C1.CCCCN(Cc1ccco1)C(=O)c1noc2c1CC(C)CC2.Cc1ccccc1NC(=O)Nc1noc2c1CCCC2.

What is the InChIKey of N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea?

The InChIKey is GQYFZQJBOOPYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3.C18H25N3O3.C18H24N2O3.C15H17N3O2/c1-13(2)8-9-21(12-15-5-4-10-23-15)19(22)18-16-11-14(3)6-7-17(16)24-20-18;1-13-6-7-16-15(11-13)17(19-24-16)18(22)21(9-8-20(2)3)12-14-5-4-10-23-14;1-3-4-9-20(12-14-6-5-10-22-14)18(21)17-15-11-13(2)7-8-16(15)23-19-17;1-10-6-2-4-8-12(10)16-15(19)17-14-11-7-3-5-9-13(11)20-18-14/h4-5,10,13-14H,6-9,11-12H2,1-3H3;4-5,10,13H,6-9,11-12H2,1-3H3;5-6,10,13H,3-4,7-9,11-12H2,1-2H3;2,4,6,8H,3,5,7,9H2,1H3,(H2,16,17,18,19).

What are the key properties of N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea?

N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea has a molecular weight of 1249.56 g/mol, XLogP of 14.02, 20 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea is sourced from PubChem (CID 158339121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).