N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline

C12H14N2O — CID 1471886

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
SMILESCc1noc(C)c1CNc1ccccc1
InChIInChI=1S/C12H14N2O/c1-9-12(10(2)15-14-9)8-13-11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3
InChIKeyPLGGMHVUVNKJDQ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.90
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline (PubChem CID 1471886) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
PubChem CID1471886
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
SMILESCc1noc(C)c1CNc1ccccc1
InChIInChI=1S/C12H14N2O/c1-9-12(10(2)15-14-9)8-13-11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3
InChIKeyPLGGMHVUVNKJDQ-UHFFFAOYSA-N
XLogP2.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline (CID 1471886) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline is Cc1noc(C)c1CNc1ccccc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline?
The InChIKey is PLGGMHVUVNKJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-12(10(2)15-14-9)8-13-11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline has a molecular weight of 202.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline is sourced from PubChem (CID 1471886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).