1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea

C18H19N3O3 — CID 50744018

IUPAC1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
SMILESCCCn1c(=O)oc2cc(NC(=O)Nc3ccc(C)cc3)ccc21
InChIInChI=1S/C18H19N3O3/c1-3-10-21-15-9-8-14(11-16(15)24-18(21)23)20-17(22)19-13-6-4-12(2)5-7-13/h4-9,11H,3,10H2,1-2H3,(H2,19,20,22)
InChIKeyQIFAWXSWRXEWPO-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.96
Rot. Bonds4

About 1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea

1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea (PubChem CID 50744018) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
PubChem CID50744018
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
SMILESCCCn1c(=O)oc2cc(NC(=O)Nc3ccc(C)cc3)ccc21
InChIInChI=1S/C18H19N3O3/c1-3-10-21-15-9-8-14(11-16(15)24-18(21)23)20-17(22)19-13-6-4-12(2)5-7-13/h4-9,11H,3,10H2,1-2H3,(H2,19,20,22)
InChIKeyQIFAWXSWRXEWPO-UHFFFAOYSA-N
XLogP3.96
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796890
1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797054
1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797422
1-(3,4-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796889
1-(3,5-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797367
2-(4-methylphenoxy)-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)acetamide
CID 50796641
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856
1-(3-methylphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50820812
2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346422
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
1-(3-fluoro-4-methylphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50797234

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea (CID 50744018) is 1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea is CCCn1c(=O)oc2cc(NC(=O)Nc3ccc(C)cc3)ccc21.
What is the InChIKey of 1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
The InChIKey is QIFAWXSWRXEWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-10-21-15-9-8-14(11-16(15)24-18(21)23)20-17(22)19-13-6-4-12(2)5-7-13/h4-9,11H,3,10H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea has a molecular weight of 325.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 50744018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).