2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide

C12H11ClN2O2 — CID 1486770

IUPAC2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCNC(=O)c1oc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C12H11ClN2O2/c1-7-10(11(16)14-2)17-12(15-7)8-3-5-9(13)6-4-8/h3-6H,1-2H3,(H,14,16)
InChIKeyWBCBZGFQMFVHQN-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.66
Rot. Bonds2

About 2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide

2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 1486770) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID1486770
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCNC(=O)c1oc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C12H11ClN2O2/c1-7-10(11(16)14-2)17-12(15-7)8-3-5-9(13)6-4-8/h3-6H,1-2H3,(H,14,16)
InChIKeyWBCBZGFQMFVHQN-UHFFFAOYSA-N
XLogP2.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Romazarit
CID 71321
Methyl 2-(4-chlorophenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 1484190
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(dipropylamino)ethyl]piperidine-4-carboxamide
CID 3240581
N,4-dimethyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 1484170
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3235876
2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)-N-(3-morpholin-4-ylpropyl)acetamide
CID 3236658
2-(((2-(2-Chlorophenyl)-5-methyloxazol-4-yl)methyl)thio)-N-cyclopropylacetamide
CID 3239474
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-{2-[ethyl(phenyl)amino]ethyl}piperidine-4-carboxamide
CID 3239890
2-{[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfinyl}-N-(2-phenylethyl)acetamide
CID 3645281
2-({[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-YL]methyl}sulfanyl)-N-[(2-chlorophenyl)methyl]acetamide
CID 4321542
2-{[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfinyl}-N-[2-(pyrrolidin-1-YL)ethyl]acetamide
CID 5307095
2-{[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfinyl}-N-(2-methoxyethyl)acetamide
CID 5307614

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide (CID 1486770) is 2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide is CNC(=O)c1oc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of 2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is WBCBZGFQMFVHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-7-10(11(16)14-2)17-12(15-7)8-3-5-9(13)6-4-8/h3-6H,1-2H3,(H,14,16).
What are the key properties of 2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide?
2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 1486770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).