3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline

C55H82N10O11 — CID 173348386

About 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline

3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline (PubChem CID 173348386) has the molecular formula C55H82N10O11 and a molecular weight of 1059.32 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline.

Molecular Properties

• Compound Name: 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline
• PubChem CID: 173348386
• Molecular Formula: C55H82N10O11
• Molecular Weight: 1059.32 g/mol
• Exact Mass: 1058.62
• IUPAC Name: 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline
• SMILES: CC(C)c1ccc(NC(=O)N(C)C)cc1.CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1.CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-].CN(C)C(=O)Nc1cc(C(C)(C)C)on1
• InChI: InChI=1S/C18H24N2O4.C15H23N3O4.C12H18N2O.C10H17N3O2/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5;1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22;1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4;1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5/h8-11H,6-7H2,1-5H3,(H,19,21);9-11H,5-8H2,1-4H3;5-9H,1-4H3,(H,13,15);6H,1-5H3,(H,11,12,14)
• InChIKey: QPJJCCFCGZFAON-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 253.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1059.32
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline?

The IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline (CID 173348386) is 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline.

What is the SMILES notation for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline?

The canonical SMILES for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline is CC(C)c1ccc(NC(=O)N(C)C)cc1.CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1.CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-].CN(C)C(=O)Nc1cc(C(C)(C)C)on1.

What is the InChIKey of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline?

The InChIKey is QPJJCCFCGZFAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4.C15H23N3O4.C12H18N2O.C10H17N3O2/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5;1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22;1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4;1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5/h8-11H,6-7H2,1-5H3,(H,19,21);9-11H,5-8H2,1-4H3;5-9H,1-4H3,(H,13,15);6H,1-5H3,(H,11,12,14).

What are the key properties of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline?

3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline has a molecular weight of 1059.32 g/mol, XLogP of 13.24, 18 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea;2,6-dimethoxy-N-[3-(3-methylpentan-3-yl)-1,2-oxazol-5-yl]benzamide;1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;2,6-dinitro-4-propan-2-yl-N,N-dipropylaniline is sourced from PubChem (CID 173348386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).