5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide

C21H16N2O4 — CID 2117969

IUPAC5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C21H16N2O4/c1-12-10-18(24)26-17-11-15(8-9-16(12)17)22-21(25)19-13(2)27-23-20(19)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,25)
InChIKeyDUHBPZCZXDNWHM-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.32
Rot. Bonds3

About 5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide

5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2117969) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2117969
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C21H16N2O4/c1-12-10-18(24)26-17-11-15(8-9-16(12)17)22-21(25)19-13(2)27-23-20(19)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,25)
InChIKeyDUHBPZCZXDNWHM-UHFFFAOYSA-N
XLogP4.32
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(4-Isopropoxyphenyl)-3-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}propanoic acid
CID 3245669
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
5-methyl-3-phenyl-N-(3-propoxyphenyl)-4-isoxazolecarboxamide
CID 2260458
N-(4-isopropoxyphenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 975586
N-[4-(4-aminophenyl)phenyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 132060056
N-(4-aminophenyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 132075241
(5Z,8Z,11Z,14Z)-N-[4-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]phenyl]phenyl]icosa-5,8,11,14-tetraenamide
CID 132075274
N4-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 2729961
[2-(4-Methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 5243996
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-(3-methoxyphenyl)butanamide
CID 5308704
3-(2-chlorophenyl)-5-methyl-N-(3-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 6483814

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 2117969) is 5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is DUHBPZCZXDNWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-12-10-18(24)26-17-11-15(8-9-16(12)17)22-21(25)19-13(2)27-23-20(19)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,25).
What are the key properties of 5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2117969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).