3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide

C15H14ClN3O3 — CID 91946065

IUPAC3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)C2(C)CC(c3ccccc3Cl)=NO2)no1
InChIInChI=1S/C15H14ClN3O3/c1-9-7-13(19-21-9)17-14(20)15(2)8-12(18-22-15)10-5-3-4-6-11(10)16/h3-7H,8H2,1-2H3,(H,17,19,20)
InChIKeyDINYQTBTHYVQSY-UHFFFAOYSA-N
MW319.75 g/mol
LogP3.16
Rot. Bonds3

About 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide

3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 91946065) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide
PubChem CID91946065
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)C2(C)CC(c3ccccc3Cl)=NO2)no1
InChIInChI=1S/C15H14ClN3O3/c1-9-7-13(19-21-9)17-14(20)15(2)8-12(18-22-15)10-5-3-4-6-11(10)16/h3-7H,8H2,1-2H3,(H,17,19,20)
InChIKeyDINYQTBTHYVQSY-UHFFFAOYSA-N
XLogP3.16
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465358
(3R)-6-chloro-3-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-4H-isochromene-3-carboxamide
CID 41092291
3-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 46951654
3-(2-chlorophenyl)-5-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4H-1,2-oxazole-5-carboxamide
CID 46951655
3-(2-methoxyphenyl)-5-methyl-N-(4-methyl-2-pyridinyl)-4H-1,2-oxazole-5-carboxamide
CID 91946158
3-(2-fluorophenyl)-N-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91945847
(5S)-5-methyl-N-(6-methyl-2-pyridinyl)-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 97465352
[3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 91946054
3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 46977673
(5R)-N-(2,5-dimethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465787
(5S)-N-(1-ethylpyrazol-3-yl)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465780
(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465304

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide (CID 91946065) is 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide is Cc1cc(NC(=O)C2(C)CC(c3ccccc3Cl)=NO2)no1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is DINYQTBTHYVQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-9-7-13(19-21-9)17-14(20)15(2)8-12(18-22-15)10-5-3-4-6-11(10)16/h3-7H,8H2,1-2H3,(H,17,19,20).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 319.75 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91946065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).