N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide

C15H18N2O2 — CID 22427540

IUPACN-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)Cc2ccccc2)no1
InChIInChI=1S/C15H18N2O2/c1-11(2)14-9-13(16-19-14)15(18)17(3)10-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3
InChIKeyIOLOMUWBBUESRB-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.07
Rot. Bonds4

About N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 22427540) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID22427540
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)Cc2ccccc2)no1
InChIInChI=1S/C15H18N2O2/c1-11(2)14-9-13(16-19-14)15(18)17(3)10-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3
InChIKeyIOLOMUWBBUESRB-UHFFFAOYSA-N
XLogP3.07
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-phenyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110857857
N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 39428449
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 124861348
6-N-benzyl-6-N-methyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109097697
N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360400
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 95227296
N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109369543
N-benzyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109348006
N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
CID 110691862
N-benzyl-N-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109347942
N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
CID 109340595

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 22427540) is N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)N(C)Cc2ccccc2)no1.
What is the InChIKey of N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is IOLOMUWBBUESRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(2)14-9-13(16-19-14)15(18)17(3)10-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3.
What are the key properties of N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 22427540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).