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

C17H16ClN3O3 — CID 50796890

IUPAC1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
SMILESCCCn1c(=O)oc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C17H16ClN3O3/c1-2-9-21-14-8-7-13(10-15(14)24-17(21)23)20-16(22)19-12-5-3-11(18)4-6-12/h3-8,10H,2,9H2,1H3,(H2,19,20,22)
InChIKeyDBJNWFAZTUYEKX-UHFFFAOYSA-N
MW345.79 g/mol
LogP4.30
Rot. Bonds4

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

1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea (PubChem CID 50796890) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
PubChem CID50796890
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
SMILESCCCn1c(=O)oc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C17H16ClN3O3/c1-2-9-21-14-8-7-13(10-15(14)24-17(21)23)20-16(22)19-12-5-3-11(18)4-6-12/h3-8,10H,2,9H2,1H3,(H2,19,20,22)
InChIKeyDBJNWFAZTUYEKX-UHFFFAOYSA-N
XLogP4.30
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50744018
1-(4-methoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797054
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
1-(4-chlorophenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)urea
CID 50797230
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797422
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide
CID 9225411
2-(4-methylphenoxy)-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)acetamide
CID 50796641
1-(5-chloro-2-methylphenyl)-3-(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)urea
CID 50797153
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856
3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346447

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea (CID 50796890) is 1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea is CCCn1c(=O)oc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
The InChIKey is DBJNWFAZTUYEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-2-9-21-14-8-7-13(10-15(14)24-17(21)23)20-16(22)19-12-5-3-11(18)4-6-12/h3-8,10H,2,9H2,1H3,(H2,19,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea?
1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea has a molecular weight of 345.79 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 50796890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).