N-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine

C17H18N2O — CID 91677568

IUPACN-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine
SMILESCCNc1cc(C)c2oc(-c3cccc(C)c3)nc2c1
InChIInChI=1S/C17H18N2O/c1-4-18-14-9-12(3)16-15(10-14)19-17(20-16)13-7-5-6-11(2)8-13/h5-10,18H,4H2,1-3H3
InChIKeyGOUSEUICDBWWLQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.54
Rot. Bonds3

About N-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine

N-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine (PubChem CID 91677568) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine
PubChem CID91677568
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine
SMILESCCNc1cc(C)c2oc(-c3cccc(C)c3)nc2c1
InChIInChI=1S/C17H18N2O/c1-4-18-14-9-12(3)16-15(10-14)19-17(20-16)13-7-5-6-11(2)8-13/h5-10,18H,4H2,1-3H3
InChIKeyGOUSEUICDBWWLQ-UHFFFAOYSA-N
XLogP4.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
CID 91676665
5-bromo-2-(3-methylphenyl)-1,3-benzoxazol-7-amine
CID 82095595
7-bromo-2-(3-methylphenyl)-1,3-benzoxazole
CID 82233864
2-chloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 91683656
2-chloro-N-[2-(3-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
CID 91683568
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]hexanamide
CID 3285271
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
2,2,2-trichloro-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 1338293
2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
CID 91676797
N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
CID 91677714
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
3-[[7-methyl-2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]propane-1,2-diol
CID 168596737

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine?
The IUPAC name of N-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine (CID 91677568) is N-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for N-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine is CCNc1cc(C)c2oc(-c3cccc(C)c3)nc2c1.
What is the InChIKey of N-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine?
The InChIKey is GOUSEUICDBWWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-4-18-14-9-12(3)16-15(10-14)19-17(20-16)13-7-5-6-11(2)8-13/h5-10,18H,4H2,1-3H3.
What are the key properties of N-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine?
N-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine has a molecular weight of 266.34 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methyl-2-(3-methylphenyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 91677568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).