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

C21H22N2O2 — CID 126462585

IUPACN-(2,3-dihydro-1H-inden-2-yl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)C1CC(CCc2ccccc2)=NO1
InChIInChI=1S/C21H22N2O2/c24-21(22-19-12-16-8-4-5-9-17(16)13-19)20-14-18(23-25-20)11-10-15-6-2-1-3-7-15/h1-9,19-20H,10-14H2,(H,22,24)
InChIKeySDPPYTYVDHFVMJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.05
Rot. Bonds5

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

N-(2,3-dihydro-1H-inden-2-yl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 126462585) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID126462585
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)C1CC(CCc2ccccc2)=NO1
InChIInChI=1S/C21H22N2O2/c24-21(22-19-12-16-8-4-5-9-17(16)13-19)20-14-18(23-25-20)11-10-15-6-2-1-3-7-15/h1-9,19-20H,10-14H2,(H,22,24)
InChIKeySDPPYTYVDHFVMJ-UHFFFAOYSA-N
XLogP3.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 126462585) is N-(2,3-dihydro-1H-inden-2-yl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC1Cc2ccccc2C1)C1CC(CCc2ccccc2)=NO1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is SDPPYTYVDHFVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-21(22-19-12-16-8-4-5-9-17(16)13-19)20-14-18(23-25-20)11-10-15-6-2-1-3-7-15/h1-9,19-20H,10-14H2,(H,22,24).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 126462585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).