N-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline

C13H16N2O — CID 60869621

IUPACN-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NCc1cnoc1
InChIInChI=1S/C13H16N2O/c1-10(2)12-5-3-4-6-13(12)14-7-11-8-15-16-9-11/h3-6,8-10,14H,7H2,1-2H3
InChIKeyFMQCHCSNLGEVRJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.41
Rot. Bonds4

About N-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline

N-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline (PubChem CID 60869621) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline
PubChem CID60869621
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NCc1cnoc1
InChIInChI=1S/C13H16N2O/c1-10(2)12-5-3-4-6-13(12)14-7-11-8-15-16-9-11/h3-6,8-10,14H,7H2,1-2H3
InChIKeyFMQCHCSNLGEVRJ-UHFFFAOYSA-N
XLogP3.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-oxazol-4-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 61379672
N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline
CID 28542068
2,6-dimethyl-N-(1,2-oxazol-4-ylmethyl)aniline
CID 61221864
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112858799
2-fluoro-6-(1,2-oxazol-4-ylmethylamino)benzonitrile
CID 60871325
N-[(3-chloro-5-fluorophenyl)methyl]-2-propan-2-ylaniline
CID 114452114
N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline
CID 112581724
1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine
CID 139295160
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline
CID 43804020
N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54806994
2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43759441

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline?
The IUPAC name of N-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline (CID 60869621) is N-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline.
What is the SMILES notation for N-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline?
The canonical SMILES for N-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline is CC(C)c1ccccc1NCc1cnoc1.
What is the InChIKey of N-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline?
The InChIKey is FMQCHCSNLGEVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(2)12-5-3-4-6-13(12)14-7-11-8-15-16-9-11/h3-6,8-10,14H,7H2,1-2H3.
What are the key properties of N-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline?
N-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline has a molecular weight of 216.28 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-4-ylmethyl)-2-propan-2-ylaniline is sourced from PubChem (CID 60869621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).