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

C18H12N2O4S — CID 17022321

IUPACN-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3cc(-c4cccs4)on3)ccc12
InChIInChI=1S/C18H12N2O4S/c1-10-7-17(21)23-14-8-11(4-5-12(10)14)19-18(22)13-9-15(24-20-13)16-3-2-6-25-16/h2-9H,1H3,(H,19,22)
InChIKeyXDFXBVHKLRQRON-UHFFFAOYSA-N
MW352.37 g/mol
LogP4.07
Rot. Bonds3

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

N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 17022321) has the molecular formula C18H12N2O4S and a molecular weight of 352.37 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID17022321
Molecular FormulaC18H12N2O4S
Molecular Weight352.37 g/mol
Exact Mass352.05
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3cc(-c4cccs4)on3)ccc12
InChIInChI=1S/C18H12N2O4S/c1-10-7-17(21)23-14-8-11(4-5-12(10)14)19-18(22)13-9-15(24-20-13)16-3-2-6-25-16/h2-9H,1H3,(H,19,22)
InChIKeyXDFXBVHKLRQRON-UHFFFAOYSA-N
XLogP4.07
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
CID 18170333
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
N-(4-methyl-2-oxochromen-7-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 42937652
N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253076
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058
N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55609816
ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 17013196
N-(4-methyl-2-oxochromen-7-yl)furan-2-carboxamide
CID 8840067
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 18081340
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55711740

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 17022321) is N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1cc(=O)oc2cc(NC(=O)c3cc(-c4cccs4)on3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is XDFXBVHKLRQRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4S/c1-10-7-17(21)23-14-8-11(4-5-12(10)14)19-18(22)13-9-15(24-20-13)16-3-2-6-25-16/h2-9H,1H3,(H,19,22).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17022321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).