3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide

C22H17ClN2O5 — CID 98476866

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide
SMILESCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)CCc3cc(Cl)no3)cc2o1
InChIInChI=1S/C22H17ClN2O5/c1-28-18-5-3-2-4-16(18)20-12-17(26)15-8-6-13(10-19(15)29-20)24-22(27)9-7-14-11-21(23)25-30-14/h2-6,8,10-12H,7,9H2,1H3,(H,24,27)
InChIKeyKMWSAGLFFMPRDM-UHFFFAOYSA-N
MW424.84 g/mol
LogP4.68
Rot. Bonds6

About 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide

3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide (PubChem CID 98476866) has the molecular formula C22H17ClN2O5 and a molecular weight of 424.84 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide
PubChem CID98476866
Molecular FormulaC22H17ClN2O5
Molecular Weight424.84 g/mol
Exact Mass424.08
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide
SMILESCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)CCc3cc(Cl)no3)cc2o1
InChIInChI=1S/C22H17ClN2O5/c1-28-18-5-3-2-4-16(18)20-12-17(26)15-8-6-13(10-19(15)29-20)24-22(27)9-7-14-11-21(23)25-30-14/h2-6,8,10-12H,7,9H2,1H3,(H,24,27)
InChIKeyKMWSAGLFFMPRDM-UHFFFAOYSA-N
XLogP4.68
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]propanamide
CID 42569824
4-chloro-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]benzamide
CID 98476084
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide
CID 98476168
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]thiophene-2-carboxamide
CID 98476004
N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 29135484
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]-1,3-benzodioxole-5-carboxamide
CID 98476256
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide
CID 98476312
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide
CID 98476056
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
2-(2-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 13190885
N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide
CID 42571450

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide (CID 98476866) is 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide is COc1ccccc1-c1cc(=O)c2ccc(NC(=O)CCc3cc(Cl)no3)cc2o1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide?
The InChIKey is KMWSAGLFFMPRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O5/c1-28-18-5-3-2-4-16(18)20-12-17(26)15-8-6-13(10-19(15)29-20)24-22(27)9-7-14-11-21(23)25-30-14/h2-6,8,10-12H,7,9H2,1H3,(H,24,27).
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide?
3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide has a molecular weight of 424.84 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide is sourced from PubChem (CID 98476866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).