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

C11H12N2O — CID 69207076

IUPAC4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline
SMILESCc1coc(Cc2ccc(N)cc2)n1
InChIInChI=1S/C11H12N2O/c1-8-7-14-11(13-8)6-9-2-4-10(12)5-3-9/h2-5,7H,6,12H2,1H3
InChIKeyHOKSUTLYMSIGFB-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.16
Rot. Bonds2

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

4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline (PubChem CID 69207076) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline
PubChem CID69207076
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline
SMILESCc1coc(Cc2ccc(N)cc2)n1
InChIInChI=1S/C11H12N2O/c1-8-7-14-11(13-8)6-9-2-4-10(12)5-3-9/h2-5,7H,6,12H2,1H3
InChIKeyHOKSUTLYMSIGFB-UHFFFAOYSA-N
XLogP2.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline?
The IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline (CID 69207076) is 4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline?
The canonical SMILES for 4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline is Cc1coc(Cc2ccc(N)cc2)n1.
What is the InChIKey of 4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline?
The InChIKey is HOKSUTLYMSIGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-7-14-11(13-8)6-9-2-4-10(12)5-3-9/h2-5,7H,6,12H2,1H3.
What are the key properties of 4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline?
4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline has a molecular weight of 188.23 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline is sourced from PubChem (CID 69207076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).