1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea

C18H17N3O3 — CID 108812811

IUPAC1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCOc1cccc(CNC(=O)Nc2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C18H17N3O3/c1-23-15-9-5-6-13(10-15)12-19-18(22)20-17-11-16(24-21-17)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,19,20,21,22)
InChIKeyPOMQGDSOMWTEEH-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.67
Rot. Bonds5

About 1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea

1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea (PubChem CID 108812811) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
PubChem CID108812811
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
SMILESCOc1cccc(CNC(=O)Nc2cc(-c3ccccc3)on2)c1
InChIInChI=1S/C18H17N3O3/c1-23-15-9-5-6-13(10-15)12-19-18(22)20-17-11-16(24-21-17)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,19,20,21,22)
InChIKeyPOMQGDSOMWTEEH-UHFFFAOYSA-N
XLogP3.67
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate
CID 108812805
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 52793571
1-[2-(3-methylphenyl)ethyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812821
1-(2-methylpropyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812531
N-[(3-methoxyphenyl)methyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 49153048
1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898437
N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 46173648
1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 47192993
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16879407
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 154841169
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea (CID 108812811) is 1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea is COc1cccc(CNC(=O)Nc2cc(-c3ccccc3)on2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
The InChIKey is POMQGDSOMWTEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-15-9-5-6-13(10-15)12-19-18(22)20-17-11-16(24-21-17)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,19,20,21,22).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea?
1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea has a molecular weight of 323.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108812811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).