3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide

C15H17N3O3 — CID 136525666

IUPAC3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(CC2CCCO2)c2ccncc2)on1
InChIInChI=1S/C15H17N3O3/c1-11-9-14(21-17-11)15(19)18(10-13-3-2-8-20-13)12-4-6-16-7-5-12/h4-7,9,13H,2-3,8,10H2,1H3
InChIKeyDJWTURGTZCLBDI-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.20
Rot. Bonds4

About 3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide

3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide (PubChem CID 136525666) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide
PubChem CID136525666
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(CC2CCCO2)c2ccncc2)on1
InChIInChI=1S/C15H17N3O3/c1-11-9-14(21-17-11)15(19)18(10-13-3-2-8-20-13)12-4-6-16-7-5-12/h4-7,9,13H,2-3,8,10H2,1H3
InChIKeyDJWTURGTZCLBDI-UHFFFAOYSA-N
XLogP2.20
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 96547592
N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxamide
CID 146105531
N-(1,3-benzothiazol-2-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42589892
2-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 96547608
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16879701
5-chloro-N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 96547612
N-(4-chloro-1,3-benzothiazol-2-yl)-3-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 16879677
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42589915
N-[[(2R)-oxolan-2-yl]methyl]-N-pyridin-4-ylindolizine-2-carboxamide
CID 95777230
N-(5-methoxy-1,3-benzothiazol-2-yl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 42589900
N-[[(2S)-oxolan-2-yl]methyl]-N-pyridin-4-ylquinoxaline-2-carboxamide
CID 129370507
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide (CID 136525666) is 3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(CC2CCCO2)c2ccncc2)on1.
What is the InChIKey of 3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide?
The InChIKey is DJWTURGTZCLBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-9-14(21-17-11)15(19)18(10-13-3-2-8-20-13)12-4-6-16-7-5-12/h4-7,9,13H,2-3,8,10H2,1H3.
What are the key properties of 3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide?
3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-2-ylmethyl)-N-pyridin-4-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 136525666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).