N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide

C13H15N3O3 — CID 90650033

IUPACN-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide
SMILESCc1cccc(=O)n1CCCNC(=O)c1cnco1
InChIInChI=1S/C13H15N3O3/c1-10-4-2-5-12(17)16(10)7-3-6-15-13(18)11-8-14-9-19-11/h2,4-5,8-9H,3,6-7H2,1H3,(H,15,18)
InChIKeyDVGVEONUBSNGAC-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.96
Rot. Bonds5

About N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide

N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide (PubChem CID 90650033) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide
PubChem CID90650033
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide
SMILESCc1cccc(=O)n1CCCNC(=O)c1cnco1
InChIInChI=1S/C13H15N3O3/c1-10-4-2-5-12(17)16(10)7-3-6-15-13(18)11-8-14-9-19-11/h2,4-5,8-9H,3,6-7H2,1H3,(H,15,18)
InChIKeyDVGVEONUBSNGAC-UHFFFAOYSA-N
XLogP0.96
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide (CID 90650033) is N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide is Cc1cccc(=O)n1CCCNC(=O)c1cnco1.
What is the InChIKey of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide?
The InChIKey is DVGVEONUBSNGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-10-4-2-5-12(17)16(10)7-3-6-15-13(18)11-8-14-9-19-11/h2,4-5,8-9H,3,6-7H2,1H3,(H,15,18).
What are the key properties of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide?
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 90650033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).