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

C15H20N2O — CID 54865092

IUPACN-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline
SMILESCCC(Nc1cccc(-c2cnco2)c1)C(C)C
InChIInChI=1S/C15H20N2O/c1-4-14(11(2)3)17-13-7-5-6-12(8-13)15-9-16-10-18-15/h5-11,14,17H,4H2,1-3H3
InChIKeyWEOZGLUIHKSLRZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP4.19
Rot. Bonds5

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

N-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline (PubChem CID 54865092) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline
PubChem CID54865092
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline
SMILESCCC(Nc1cccc(-c2cnco2)c1)C(C)C
InChIInChI=1S/C15H20N2O/c1-4-14(11(2)3)17-13-7-5-6-12(8-13)15-9-16-10-18-15/h5-11,14,17H,4H2,1-3H3
InChIKeyWEOZGLUIHKSLRZ-UHFFFAOYSA-N
XLogP4.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylheptan-4-yl)-3-(1,3-oxazol-5-yl)aniline
CID 63453530
N-(5-methylhexan-2-yl)-3-(1,3-oxazol-5-yl)aniline
CID 54865172
N-[1-(1-methylcyclopropyl)ethyl]-3-(1,3-oxazol-5-yl)aniline
CID 54864968
N-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline
CID 60935318
3-(1,3-oxazol-5-yl)-N-(1-thiophen-3-ylethyl)aniline
CID 62089304
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
N-[1-(4-bromothiophen-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline
CID 107167802
N-hexyl-3-(1,3-oxazol-5-yl)aniline
CID 54865068
3-(1,3-oxazol-5-yl)-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115929008
3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859
2-(ethylamino)-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 62835671
N-[(3R)-2-methylpentan-3-yl]pyridin-3-amine
CID 67725342

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline (CID 54865092) is N-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline is CCC(Nc1cccc(-c2cnco2)c1)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline?
The InChIKey is WEOZGLUIHKSLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-14(11(2)3)17-13-7-5-6-12(8-13)15-9-16-10-18-15/h5-11,14,17H,4H2,1-3H3.
What are the key properties of N-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline?
N-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline has a molecular weight of 244.34 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-yl)-3-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 54865092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).