1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

C14H12ClN5O2 — CID 56786021

IUPAC1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)no1
InChIInChI=1S/C14H12ClN5O2/c1-9-6-13(19-22-9)18-14(21)17-10-2-3-12(11(15)7-10)20-5-4-16-8-20/h2-8H,1H3,(H2,17,18,19,21)
InChIKeyXEODVKFYVNRNAD-UHFFFAOYSA-N
MW317.74 g/mol
LogP3.47
Rot. Bonds3

About 1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 56786021) has the molecular formula C14H12ClN5O2 and a molecular weight of 317.74 g/mol. Its IUPAC name is 1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID56786021
Molecular FormulaC14H12ClN5O2
Molecular Weight317.74 g/mol
Exact Mass317.07
IUPAC Name1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)no1
InChIInChI=1S/C14H12ClN5O2/c1-9-6-13(19-22-9)18-14(21)17-10-2-3-12(11(15)7-10)20-5-4-16-8-20/h2-8H,1H3,(H2,17,18,19,21)
InChIKeyXEODVKFYVNRNAD-UHFFFAOYSA-N
XLogP3.47
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 86920859
1-(3-chloro-4-imidazol-1-ylphenyl)-3-[(2S)-6-hydroxy-6-methylheptan-2-yl]urea
CID 125177948
1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6467048
2-(3-chloro-4-imidazol-1-ylanilino)ethene-1,1,2-tricarbonitrile
CID 168607400
N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide
CID 60607880
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050241
trans-(1R,2R)-N-[3-(3-chloro-4-imidazol-1-ylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95278022
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47245192
1-(3-chloro-4-imidazol-1-ylphenyl)-3-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134208946
5-chloro-1-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazole-4-carboxamide
CID 143051989

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 56786021) is 1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)no1.
What is the InChIKey of 1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is XEODVKFYVNRNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O2/c1-9-6-13(19-22-9)18-14(21)17-10-2-3-12(11(15)7-10)20-5-4-16-8-20/h2-8H,1H3,(H2,17,18,19,21).
What are the key properties of 1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 317.74 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 56786021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).