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

C21H22N2O2 — CID 42342232

IUPAC(5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@H]1CCc2ccccc21)[C@@H]1CC(CCc2ccccc2)=NO1
InChIInChI=1S/C21H22N2O2/c24-21(22-19-13-11-16-8-4-5-9-18(16)19)20-14-17(23-25-20)12-10-15-6-2-1-3-7-15/h1-9,19-20H,10-14H2,(H,22,24)/t19-,20-/m0/s1
InChIKeyGXSZVYKNGQAOQD-PMACEKPBSA-N
MW334.42 g/mol
LogP3.57
Rot. Bonds5

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

(5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 42342232) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID42342232
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(N[C@H]1CCc2ccccc21)[C@@H]1CC(CCc2ccccc2)=NO1
InChIInChI=1S/C21H22N2O2/c24-21(22-19-13-11-16-8-4-5-9-18(16)19)20-14-17(23-25-20)12-10-15-6-2-1-3-7-15/h1-9,19-20H,10-14H2,(H,22,24)/t19-,20-/m0/s1
InChIKeyGXSZVYKNGQAOQD-PMACEKPBSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 42342232) is (5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(N[C@H]1CCc2ccccc21)[C@@H]1CC(CCc2ccccc2)=NO1.
What is the InChIKey of (5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is GXSZVYKNGQAOQD-PMACEKPBSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-21(22-19-13-11-16-8-4-5-9-18(16)19)20-14-17(23-25-20)12-10-15-6-2-1-3-7-15/h1-9,19-20H,10-14H2,(H,22,24)/t19-,20-/m0/s1.
What are the key properties of (5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42342232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).