N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline

C15H18N2O — CID 54864968

IUPACN-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline
SMILESCC(Nc1cccc(-c2cnco2)c1)C1(C)CC1
InChIInChI=1S/C15H18N2O/c1-11(15(2)6-7-15)17-13-5-3-4-12(8-13)14-9-16-10-18-14/h3-5,8-11,17H,6-7H2,1-2H3
InChIKeyUSMOVOQFOZJRHW-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.94
Rot. Bonds4

About N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline

N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline (PubChem CID 54864968) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline
PubChem CID54864968
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline
SMILESCC(Nc1cccc(-c2cnco2)c1)C1(C)CC1
InChIInChI=1S/C15H18N2O/c1-11(15(2)6-7-15)17-13-5-3-4-12(8-13)14-9-16-10-18-14/h3-5,8-11,17H,6-7H2,1-2H3
InChIKeyUSMOVOQFOZJRHW-UHFFFAOYSA-N
XLogP3.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-Oxazol-5-yl)aniline
CID 2739289
N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329849
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
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-(4-Oxazol-5-yl-phenyl)-3-m-tolyl-urea
CID 22946285
1-{3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-(3-oxazol-5-yl-phenyl)-urea
CID 44290029
N-methyl-2-oxo-8-(2-phenyl-1,3-oxazol-5-yl)octanamide
CID 44349719
(2R)-2-amino-N-[3-ethyl-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
CID 117799712
(2R)-2-amino-N-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
CID 117813260

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline (CID 54864968) is N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline is CC(Nc1cccc(-c2cnco2)c1)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline?
The InChIKey is USMOVOQFOZJRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(15(2)6-7-15)17-13-5-3-4-12(8-13)14-9-16-10-18-14/h3-5,8-11,17H,6-7H2,1-2H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline?
N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline has a molecular weight of 242.32 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 54864968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).