3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H18N2O2 — CID 155957318

IUPAC3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCc2ccccc21)C1CC(C2CC2)=NO1
InChIInChI=1S/C16H18N2O2/c19-16(15-9-14(18-20-15)11-5-6-11)17-13-8-7-10-3-1-2-4-12(10)13/h1-4,11,13,15H,5-9H2,(H,17,19)
InChIKeyVNRPWHKCIWJMTO-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.35
Rot. Bonds3

About 3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 155957318) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID155957318
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCc2ccccc21)C1CC(C2CC2)=NO1
InChIInChI=1S/C16H18N2O2/c19-16(15-9-14(18-20-15)11-5-6-11)17-13-8-7-10-3-1-2-4-12(10)13/h1-4,11,13,15H,5-9H2,(H,17,19)
InChIKeyVNRPWHKCIWJMTO-UHFFFAOYSA-N
XLogP2.35
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 126426400
3-(3-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43069123
(5S)-3-(3-fluorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51873740
(5S)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51873741
(5R)-3-(3-fluorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51873742
(5R)-3-(3-fluorophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51873743
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 60522379
3-(2-phenylethyl)-N-[2-(trifluoromethyl)benzyl]-4,5-dihydro-5-isoxazolecarboxamide
CID 118756322
3-cyclopropyl-N-(3,3,3-trifluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155957345
N-[1-(4-fluorophenyl)ethyl]-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155958112
3-cyclopropyl-N-(3,3-difluoro-1-phenylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155959046
3-cyclopropyl-N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155959657

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 155957318) is 3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC1CCc2ccccc21)C1CC(C2CC2)=NO1.
What is the InChIKey of 3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is VNRPWHKCIWJMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(15-9-14(18-20-15)11-5-6-11)17-13-8-7-10-3-1-2-4-12(10)13/h1-4,11,13,15H,5-9H2,(H,17,19).
What are the key properties of 3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155957318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).