5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide

C19H16ClN3O3 — CID 159026410

IUPAC5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)Cc1cc(-c2nc(C(N)=O)c(-c3ccccc3Cl)o2)c(C)cn1
InChIInChI=1S/C19H16ClN3O3/c1-10-9-22-12(7-11(2)24)8-14(10)19-23-16(18(21)25)17(26-19)13-5-3-4-6-15(13)20/h3-6,8-9H,7H2,1-2H3,(H2,21,25)
InChIKeyJUIIAEUFDBVNSA-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.60
Rot. Bonds5

About 5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide

5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 159026410) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide
PubChem CID159026410
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)Cc1cc(-c2nc(C(N)=O)c(-c3ccccc3Cl)o2)c(C)cn1
InChIInChI=1S/C19H16ClN3O3/c1-10-9-22-12(7-11(2)24)8-14(10)19-23-16(18(21)25)17(26-19)13-5-3-4-6-15(13)20/h3-6,8-9H,7H2,1-2H3,(H2,21,25)
InChIKeyJUIIAEUFDBVNSA-UHFFFAOYSA-N
XLogP3.60
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 67776016
2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide
CID 67952381
N-[4-[5-(2-chlorophenyl)-4-[[oxido(propan-2-yl)amino]methyl]-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide
CID 163798895
2-(2-chlorophenyl)-6,8-dimethylquinazoline-4-carboxamide
CID 177319660
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 7742654
[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156813
5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide
CID 67776725
2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 174598172
3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid
CID 59263791
2-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 134342695
2-[2-(2-chlorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetic acid
CID 13105454

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide (CID 159026410) is 5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide is CC(=O)Cc1cc(-c2nc(C(N)=O)c(-c3ccccc3Cl)o2)c(C)cn1.
What is the InChIKey of 5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JUIIAEUFDBVNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-10-9-22-12(7-11(2)24)8-14(10)19-23-16(18(21)25)17(26-19)13-5-3-4-6-15(13)20/h3-6,8-9H,7H2,1-2H3,(H2,21,25).
What are the key properties of 5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide?
5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 159026410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).