N-(1-phenylethyl)-1,3-benzoxazol-2-amine

C15H14N2O — CID 47146208

IUPACN-(1-phenylethyl)-1,3-benzoxazol-2-amine
SMILESCC(Nc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C15H14N2O/c1-11(12-7-3-2-4-8-12)16-15-17-13-9-5-6-10-14(13)18-15/h2-11H,1H3,(H,16,17)
InChIKeyXWEZXIGTAJDIGX-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.00
Rot. Bonds3

About N-(1-phenylethyl)-1,3-benzoxazol-2-amine

N-(1-phenylethyl)-1,3-benzoxazol-2-amine (PubChem CID 47146208) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1-phenylethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-1,3-benzoxazol-2-amine
PubChem CID47146208
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC NameN-(1-phenylethyl)-1,3-benzoxazol-2-amine
SMILESCC(Nc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C15H14N2O/c1-11(12-7-3-2-4-8-12)16-15-17-13-9-5-6-10-14(13)18-15/h2-11H,1H3,(H,16,17)
InChIKeyXWEZXIGTAJDIGX-UHFFFAOYSA-N
XLogP4.00
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-1,3-benzoxazol-2-amine
CID 24632077
N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine
CID 62842604
2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid
CID 62111311
N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine
CID 61397667
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine
CID 112697262
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine
CID 34002400
(2S)-2-(1,3-benzoxazol-2-ylamino)-N,2-diphenylacetamide
CID 94546889
N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine
CID 97260630
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470
N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine
CID 63120269
N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine
CID 102913887
6-amino-5-methyl-2-(1-phenylethylamino)-3,1-benzoxazin-4-one
CID 23444568

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(1-phenylethyl)-1,3-benzoxazol-2-amine (CID 47146208) is N-(1-phenylethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(1-phenylethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(1-phenylethyl)-1,3-benzoxazol-2-amine is CC(Nc1nc2ccccc2o1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-1,3-benzoxazol-2-amine?
The InChIKey is XWEZXIGTAJDIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11(12-7-3-2-4-8-12)16-15-17-13-9-5-6-10-14(13)18-15/h2-11H,1H3,(H,16,17).
What are the key properties of N-(1-phenylethyl)-1,3-benzoxazol-2-amine?
N-(1-phenylethyl)-1,3-benzoxazol-2-amine has a molecular weight of 238.29 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 47146208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).