N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine

C21H24N2O2 — CID 68657492

IUPACN-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-14-12-17(24-2)9-10-18(14)15-8-11-20-19(13-15)23-21(25-20)22-16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,22,23)
InChIKeyDZTNYUQFLGDVEU-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.56
Rot. Bonds4

About N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine

N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine (PubChem CID 68657492) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine
PubChem CID68657492
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-14-12-17(24-2)9-10-18(14)15-8-11-20-19(13-15)23-21(25-20)22-16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,22,23)
InChIKeyDZTNYUQFLGDVEU-UHFFFAOYSA-N
XLogP5.56
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ontazolast
CID 71458
2-(1,3-Benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one
CID 664331
N~2~-1,3-Benzoxazol-2-YL-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-L-alaninamide
CID 6420159
N-Acetyl-N'-(5-methyl-benzooxazol-2-yl)-guanidine
CID 5762132
5-[4-[2-[N-(2-benzoxazolyl)-N-methylamino]ethoxy]benzyl]-2,4-thiazolidinedione
CID 9822139
(2S)-3-cyclohexyl-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide
CID 11247716
(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
(S)-2-(Benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide
CID 11316876
(2S)-2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide
CID 11396148
methyl 2-{[(1S)-2-cyclohexyl-1-({2-[(4-fluorophenyl)amino]ethyl}carbamoyl)ethyl]amino}-1,3-benzoxazole-6-carboxylate
CID 11397519
N-(4-Ethylphenyl)-5-methylbenzo[d]oxazol-2-amine
CID 24759786

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine (CID 68657492) is N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine is COc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)c(C)c1.
What is the InChIKey of N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is DZTNYUQFLGDVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-12-17(24-2)9-10-18(14)15-8-11-20-19(13-15)23-21(25-20)22-16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,22,23).
What are the key properties of N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine?
N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 336.44 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 68657492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).