N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide

C12H12N2O2 — CID 173261261

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide
SMILESCc1noc(C)c1-c1cccc(NC=O)c1
InChIInChI=1S/C12H12N2O2/c1-8-12(9(2)16-14-8)10-4-3-5-11(6-10)13-7-15/h3-7H,1-2H3,(H,13,15)
InChIKeyVNEFWUFECOAPRD-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.53
Rot. Bonds3

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

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide (PubChem CID 173261261) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide
PubChem CID173261261
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide
SMILESCc1noc(C)c1-c1cccc(NC=O)c1
InChIInChI=1S/C12H12N2O2/c1-8-12(9(2)16-14-8)10-4-3-5-11(6-10)13-7-15/h3-7H,1-2H3,(H,13,15)
InChIKeyVNEFWUFECOAPRD-UHFFFAOYSA-N
XLogP2.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide (CID 173261261) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide is Cc1noc(C)c1-c1cccc(NC=O)c1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide?
The InChIKey is VNEFWUFECOAPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-12(9(2)16-14-8)10-4-3-5-11(6-10)13-7-15/h3-7H,1-2H3,(H,13,15).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide has a molecular weight of 216.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]formamide is sourced from PubChem (CID 173261261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).