N-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine

C21H24N2O — CID 19426787

IUPACN-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine
SMILESc1ccc(C2CCCCC2)c(CCNc2nc3ccccc3o2)c1
InChIInChI=1S/C21H24N2O/c1-2-8-16(9-3-1)18-11-5-4-10-17(18)14-15-22-21-23-19-12-6-7-13-20(19)24-21/h4-7,10-13,16H,1-3,8-9,14-15H2,(H,22,23)
InChIKeyRKFFPJPVCPVAPV-UHFFFAOYSA-N
MW320.44 g/mol
LogP5.53
Rot. Bonds5

About N-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine

N-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine (PubChem CID 19426787) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine
PubChem CID19426787
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine
SMILESc1ccc(C2CCCCC2)c(CCNc2nc3ccccc3o2)c1
InChIInChI=1S/C21H24N2O/c1-2-8-16(9-3-1)18-11-5-4-10-17(18)14-15-22-21-23-19-12-6-7-13-20(19)24-21/h4-7,10-13,16H,1-3,8-9,14-15H2,(H,22,23)
InChIKeyRKFFPJPVCPVAPV-UHFFFAOYSA-N
XLogP5.53
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ontazolast
CID 71458
2-(Piperazin-1-yl)-1,3-benzoxazole
CID 647818
N~2~-1,3-Benzoxazol-2-YL-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-L-alaninamide
CID 6420159
N-phenyl-1,3-benzoxazol-2-amine
CID 243391
N-Acetyl-N'-(5-methyl-benzooxazol-2-yl)-guanidine
CID 5762132
N-methyl-1,3-benzoxazol-2-amine
CID 590605
2-(1,3-Benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one
CID 664331
(2S)-2-[(6-chloro-1,3-benzoxazol-2-yl)amino]-3-cyclohexyl-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide
CID 11224927
(2S)-3-cyclohexyl-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide
CID 11247716
(2S)-2-[(5-chloro-1,3-benzoxazol-2-yl)amino]-3-cyclohexyl-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide
CID 11294094
(2S)-2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)propan-2-yl]propanamide
CID 11294227
(2S)-3-cyclohexyl-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide
CID 11305296

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine (CID 19426787) is N-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine is c1ccc(C2CCCCC2)c(CCNc2nc3ccccc3o2)c1.
What is the InChIKey of N-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine?
The InChIKey is RKFFPJPVCPVAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-2-8-16(9-3-1)18-11-5-4-10-17(18)14-15-22-21-23-19-12-6-7-13-20(19)24-21/h4-7,10-13,16H,1-3,8-9,14-15H2,(H,22,23).
What are the key properties of N-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine?
N-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine has a molecular weight of 320.44 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclohexylphenyl)ethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 19426787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).