N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C20H18N2O2 — CID 22427636

IUPACN-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCC(NC(=O)c1noc2c1CCc1ccccc1-2)c1ccccc1
InChIInChI=1S/C20H18N2O2/c1-13(14-7-3-2-4-8-14)21-20(23)18-17-12-11-15-9-5-6-10-16(15)19(17)24-22-18/h2-10,13H,11-12H2,1H3,(H,21,23)
InChIKeyCFPVHTMIUXGWJK-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.93
Rot. Bonds3

About N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 22427636) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID22427636
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCC(NC(=O)c1noc2c1CCc1ccccc1-2)c1ccccc1
InChIInChI=1S/C20H18N2O2/c1-13(14-7-3-2-4-8-14)21-20(23)18-17-12-11-15-9-5-6-10-16(15)19(17)24-22-18/h2-10,13H,11-12H2,1H3,(H,21,23)
InChIKeyCFPVHTMIUXGWJK-UHFFFAOYSA-N
XLogP3.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943667
N-propyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 5309634
N-butyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 22427639
(2S)-6-amino-2-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)hexanoic acid;hydrochloride
CID 139676310
N-cyclohexyl-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 22427633
5-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)benzene-1,3-dicarboxamide
CID 167989756
N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 139676257
N-butan-2-yl-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943516
N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide
CID 91287100
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 46096857
(2Z)-2-[1-[[(1R)-1-phenylethyl]amino]ethylidene]-3,4-dihydronaphthalen-1-one
CID 177494103

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 22427636) is N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is CC(NC(=O)c1noc2c1CCc1ccccc1-2)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is CFPVHTMIUXGWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-13(14-7-3-2-4-8-14)21-20(23)18-17-12-11-15-9-5-6-10-16(15)19(17)24-22-18/h2-10,13H,11-12H2,1H3,(H,21,23).
What are the key properties of N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 22427636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).