N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline

C16H22N2O — CID 54865172

IUPACN-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline
SMILESCC(C)CCC(C)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C16H22N2O/c1-12(2)7-8-13(3)18-15-6-4-5-14(9-15)16-10-17-11-19-16/h4-6,9-13,18H,7-8H2,1-3H3
InChIKeyZBSDZZTWBJLKJP-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.58
Rot. Bonds6

About N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline

N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline (PubChem CID 54865172) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline
PubChem CID54865172
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline
SMILESCC(C)CCC(C)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C16H22N2O/c1-12(2)7-8-13(3)18-15-6-4-5-14(9-15)16-10-17-11-19-16/h4-6,9-13,18H,7-8H2,1-3H3
InChIKeyZBSDZZTWBJLKJP-UHFFFAOYSA-N
XLogP4.58
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-Oxazol-5-yl)aniline
CID 2739289
N,5-Diphenyl-2-oxazolamine
CID 5329404
N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329849
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
5-Phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 8688253
2,4-difluoro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 2739169
4-(5-Oxazolyl)benzylamine
CID 21930993
4-(1,3-Oxazol-5-yl)aniline
CID 517747
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,3-oxazol-5-yl)aniline
CID 9794803
1-(5-(3-Aminophenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110637
1-(3,3-Diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea
CID 16112870
1-(4-Oxazol-5-yl-phenyl)-3-m-tolyl-urea
CID 22946285

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline (CID 54865172) is N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline is CC(C)CCC(C)Nc1cccc(-c2cnco2)c1.
What is the InChIKey of N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline?
The InChIKey is ZBSDZZTWBJLKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)7-8-13(3)18-15-6-4-5-14(9-15)16-10-17-11-19-16/h4-6,9-13,18H,7-8H2,1-3H3.
What are the key properties of N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline?
N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline has a molecular weight of 258.36 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 54865172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).