2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide

C13H15N3O2 — CID 122561906

IUPAC2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccnc(CNC(=O)c2oc(C)nc2C)c1
InChIInChI=1S/C13H15N3O2/c1-8-4-5-14-11(6-8)7-15-13(17)12-9(2)16-10(3)18-12/h4-6H,7H2,1-3H3,(H,15,17)
InChIKeyZSBMVCCZAYLYAT-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.92
Rot. Bonds3

About 2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide (PubChem CID 122561906) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide
PubChem CID122561906
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccnc(CNC(=O)c2oc(C)nc2C)c1
InChIInChI=1S/C13H15N3O2/c1-8-4-5-14-11(6-8)7-15-13(17)12-9(2)16-10(3)18-12/h4-6H,7H2,1-3H3,(H,15,17)
InChIKeyZSBMVCCZAYLYAT-UHFFFAOYSA-N
XLogP1.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10730889, Example 355
CID 118621271
4-methyl-N-(2-methylphenyl)-1,3-oxazole-5-carboxamide
CID 5307543
5-Methyl-2-(propan-2-YL)-N-[(pyridin-4-YL)methyl]-1,3-oxazole-4-carboxamide
CID 53195196
1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-N-(4-pyridinylmethyl)-2-piperazinecarboxamide
CID 56884395
1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-N-(6-methyl-3-pyridinyl)-2-piperazinecarboxamide
CID 56895642
2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide
CID 71851017
2-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrrole-3-carboxamide
CID 75395391
5-acetyl-N-(2-pyridin-3-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97442825
N-[2-(dimethylamino)ethyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97442827
5-(pyridine-3-carbonyl)-N-(2-pyrrolidin-1-ylethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97442828
[2-(4-Methylpiperazine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone
CID 97442833
[2-(4-Methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone
CID 97442834

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide (CID 122561906) is 2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide is Cc1ccnc(CNC(=O)c2oc(C)nc2C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is ZSBMVCCZAYLYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-4-5-14-11(6-8)7-15-13(17)12-9(2)16-10(3)18-12/h4-6H,7H2,1-3H3,(H,15,17).
What are the key properties of 2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(4-methyl-2-pyridinyl)methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 122561906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).