1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea

C17H13Cl2N3O2 — CID 110302343

IUPAC1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
SMILESO=C(NCc1cccc(Cl)c1)Nc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H13Cl2N3O2/c18-13-6-4-12(5-7-13)15-9-16(24-22-15)21-17(23)20-10-11-2-1-3-14(19)8-11/h1-9H,10H2,(H2,20,21,23)
InChIKeyIFUVKSNTLYMKKF-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.97
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea

1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea (PubChem CID 110302343) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
PubChem CID110302343
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea
SMILESO=C(NCc1cccc(Cl)c1)Nc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H13Cl2N3O2/c18-13-6-4-12(5-7-13)15-9-16(24-22-15)21-17(23)20-10-11-2-1-3-14(19)8-11/h1-9H,10H2,(H2,20,21,23)
InChIKeyIFUVKSNTLYMKKF-UHFFFAOYSA-N
XLogP4.97
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
CID 108898743
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoic acid
CID 3924701
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea
CID 112503079
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 112503065
3-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-1,2-oxazol-5-amine
CID 110826703
1-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 46949495
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
1-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanesulfonamide
CID 112503135
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide
CID 112503058
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 110302314
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110621435

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea (CID 110302343) is 1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea is O=C(NCc1cccc(Cl)c1)Nc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea?
The InChIKey is IFUVKSNTLYMKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-13-6-4-12(5-7-13)15-9-16(24-22-15)21-17(23)20-10-11-2-1-3-14(19)8-11/h1-9H,10H2,(H2,20,21,23).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea?
1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea has a molecular weight of 362.22 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]urea is sourced from PubChem (CID 110302343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).