N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine

C16H16N2O — CID 24759786

IUPACN-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine
SMILESCCc1ccc(Nc2nc3cc(C)ccc3o2)cc1
InChIInChI=1S/C16H16N2O/c1-3-12-5-7-13(8-6-12)17-16-18-14-10-11(2)4-9-15(14)19-16/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyNQAKLIGQCZLYKC-UHFFFAOYSA-N
MW252.32 g/mol
LogP4.44
Rot. Bonds3

About N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine

N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine (PubChem CID 24759786) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine
PubChem CID24759786
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine
SMILESCCc1ccc(Nc2nc3cc(C)ccc3o2)cc1
InChIInChI=1S/C16H16N2O/c1-3-12-5-7-13(8-6-12)17-16-18-14-10-11(2)4-9-15(14)19-16/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyNQAKLIGQCZLYKC-UHFFFAOYSA-N
XLogP4.44
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 90886573
N-ethyl-5-methyl-1,3-benzoxazol-2-amine
CID 15684675
1,1-dimethyl-3-[4-[(5-methyl-1,3-benzoxazol-2-yl)amino]phenyl]urea
CID 118289402
N-(4-butylphenyl)-5-chloro-1,3-benzoxazol-2-amine
CID 2108047
N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine
CID 52945478
ethyl 5-[(5-methyl-1,3-benzoxazol-2-yl)amino]-1,3,4-oxadiazole-2-carboxylate
CID 158973706
2-N-(3-ethylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79884819
6-methyl-N-phenyl-1,3-benzoxazol-2-amine
CID 59991820
4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857949
2,5-dimethyl-1,3-benzoxazole;ethane;1-ethyl-4-propan-2-ylbenzene
CID 170641256
5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine
CID 166211073
N-[4-[[4-(1,3-benzoxazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzoxazol-2-amine
CID 14688880

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine (CID 24759786) is N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine is CCc1ccc(Nc2nc3cc(C)ccc3o2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine?
The InChIKey is NQAKLIGQCZLYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-3-12-5-7-13(8-6-12)17-16-18-14-10-11(2)4-9-15(14)19-16/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine?
N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine has a molecular weight of 252.32 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 24759786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).