N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide

C12H13N3O2 — CID 91764923

IUPACN-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1cnccc1CN(C)C(=O)c1cnco1
InChIInChI=1S/C12H13N3O2/c1-9-5-13-4-3-10(9)7-15(2)12(16)11-6-14-8-17-11/h3-6,8H,7H2,1-2H3
InChIKeyQYPKWVBSRMYSOH-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.65
Rot. Bonds3

About N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide

N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide (PubChem CID 91764923) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide
PubChem CID91764923
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1cnccc1CN(C)C(=O)c1cnco1
InChIInChI=1S/C12H13N3O2/c1-9-5-13-4-3-10(9)7-15(2)12(16)11-6-14-8-17-11/h3-6,8H,7H2,1-2H3
InChIKeyQYPKWVBSRMYSOH-UHFFFAOYSA-N
XLogP1.65
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166327972
N,N-dimethyl-2-(3-methyl-4-pyridinyl)acetamide
CID 130131962
4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 119070117
4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 110835484
4-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 115115729
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97203512
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-[(3R)-oxan-3-yl]acetamide
CID 126452767
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
CID 176500643
N-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 105069435
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylmethanamine
CID 50950146
N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 26394218

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide (CID 91764923) is N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide is Cc1cnccc1CN(C)C(=O)c1cnco1.
What is the InChIKey of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is QYPKWVBSRMYSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-5-13-4-3-10(9)7-15(2)12(16)11-6-14-8-17-11/h3-6,8H,7H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide?
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91764923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).