1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea

C17H19N3O5 — CID 111474627

IUPAC1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2ccc3c(c2)oc(=O)n3C)o1
InChIInChI=1S/C17H19N3O5/c1-10-4-7-14(24-10)17(2,23)9-18-15(21)19-11-5-6-12-13(8-11)25-16(22)20(12)3/h4-8,23H,9H2,1-3H3,(H2,18,19,21)
InChIKeyWMSBKSHDEQPIPU-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.06
Rot. Bonds4

About 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea

1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea (PubChem CID 111474627) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
PubChem CID111474627
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
SMILESCc1ccc(C(C)(O)CNC(=O)Nc2ccc3c(c2)oc(=O)n3C)o1
InChIInChI=1S/C17H19N3O5/c1-10-4-7-14(24-10)17(2,23)9-18-15(21)19-11-5-6-12-13(8-11)25-16(22)20(12)3/h4-8,23H,9H2,1-3H3,(H2,18,19,21)
InChIKeyWMSBKSHDEQPIPU-UHFFFAOYSA-N
XLogP2.06
TPSA109.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea with MolForge

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Related Compounds

1-(2-hydroxy-2-phenylpropyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 111335653
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea
CID 111475072
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 111120714
2-cyano-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide
CID 115174971
1-(5-fluoro-2-methylphenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472998
1-(2-chlorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472648
1-(4-chloro-2-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111472987
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111503988
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
1-(2-chloro-5-fluorophenyl)-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111474596
1-[4-(dimethylamino)-2-methylphenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 167773743

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea (CID 111474627) is 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea is Cc1ccc(C(C)(O)CNC(=O)Nc2ccc3c(c2)oc(=O)n3C)o1.
What is the InChIKey of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
The InChIKey is WMSBKSHDEQPIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-10-4-7-14(24-10)17(2,23)9-18-15(21)19-11-5-6-12-13(8-11)25-16(22)20(12)3/h4-8,23H,9H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea?
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea has a molecular weight of 345.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 111474627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).