N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide

C13H14N2O2 — CID 2304308

IUPACN-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1ccccc1
InChIInChI=1S/C13H14N2O2/c1-9-12(10(2)17-15-9)13(16)14-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyGIMCMADGNGMRAZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.22
Rot. Bonds3

About N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 2304308) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID2304308
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1ccccc1
InChIInChI=1S/C13H14N2O2/c1-9-12(10(2)17-15-9)13(16)14-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyGIMCMADGNGMRAZ-UHFFFAOYSA-N
XLogP2.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 4250909
1-benzyl-5-(3,5-dimethylisoxazol-4-yl)pyridin-2(1H)-one
CID 76683643
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
CID 822394
5-amino-N-(2-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 1263600
Mls003170801
CID 332790
N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245261
Cambridge id 5777587
CID 869900
N-(2-bromobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247401
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
N-(4-cyanophenyl)-3,5-dimethylisoxazole-4-carboxamide
CID 2741509
N-{4-[(3,5-dimethylisoxazol-4-yl)carbonylamino]phenyl}acetamide
CID 4791027

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 2304308) is N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is GIMCMADGNGMRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-12(10(2)17-15-9)13(16)14-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,16).
What are the key properties of N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2304308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).