N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide

C17H18N2O3 — CID 22578445

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide
SMILESCc1noc(C)c1CCNC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C17H18N2O3/c1-11-15(12(2)22-19-11)7-8-18-17(20)14-9-13-5-3-4-6-16(13)21-10-14/h3-6,9H,7-8,10H2,1-2H3,(H,18,20)
InChIKeyQOKMTGKOSAIWLK-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.43
Rot. Bonds4

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide (PubChem CID 22578445) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide
PubChem CID22578445
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide
SMILESCc1noc(C)c1CCNC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C17H18N2O3/c1-11-15(12(2)22-19-11)7-8-18-17(20)14-9-13-5-3-4-6-16(13)21-10-14/h3-6,9H,7-8,10H2,1-2H3,(H,18,20)
InChIKeyQOKMTGKOSAIWLK-UHFFFAOYSA-N
XLogP2.43
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2H-chromene-3-carboxamide
CID 13029267
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112529882
2,6-dichloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 71865203
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbenzamide
CID 110422781
N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide
CID 46353382
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dimethoxybenzamide
CID 110646263
(3S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97029666
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-7-carboxamide
CID 112529888
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110646267
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 119778984
N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide
CID 41412635

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide (CID 22578445) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide is Cc1noc(C)c1CCNC(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide?
The InChIKey is QOKMTGKOSAIWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-15(12(2)22-19-11)7-8-18-17(20)14-9-13-5-3-4-6-16(13)21-10-14/h3-6,9H,7-8,10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).