5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide

C22H19N3O4 — CID 39835135

IUPAC5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide
SMILESCc1cc(C)c2c(=O)cc(C(=O)NCCc3nc(-c4ccccc4)no3)oc2c1
InChIInChI=1S/C22H19N3O4/c1-13-10-14(2)20-16(26)12-18(28-17(20)11-13)22(27)23-9-8-19-24-21(25-29-19)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,23,27)
InChIKeyGKBLTYKVCCMYCW-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.43
Rot. Bonds5

About 5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide

5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide (PubChem CID 39835135) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide
PubChem CID39835135
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide
SMILESCc1cc(C)c2c(=O)cc(C(=O)NCCc3nc(-c4ccccc4)no3)oc2c1
InChIInChI=1S/C22H19N3O4/c1-13-10-14(2)20-16(26)12-18(28-17(20)11-13)22(27)23-9-8-19-24-21(25-29-19)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,23,27)
InChIKeyGKBLTYKVCCMYCW-UHFFFAOYSA-N
XLogP3.43
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5,7-trimethyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-2-carboxamide
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CID 39835126
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CID 110323732
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
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2-(2,5-dimethylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50875120
2,4-dichloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323319
2-(2-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 39835008
6-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-2-carboxamide
CID 77082714
4-tert-butyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 46300146
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
2,3,4-trifluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323311
3,4-difluoro-N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110323773

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide?
The IUPAC name of 5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide (CID 39835135) is 5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide is Cc1cc(C)c2c(=O)cc(C(=O)NCCc3nc(-c4ccccc4)no3)oc2c1.
What is the InChIKey of 5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide?
The InChIKey is GKBLTYKVCCMYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-13-10-14(2)20-16(26)12-18(28-17(20)11-13)22(27)23-9-8-19-24-21(25-29-19)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,23,27).
What are the key properties of 5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide?
5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]chromene-2-carboxamide is sourced from PubChem (CID 39835135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).