3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide

C14H17N3O2 — CID 18775321

IUPAC3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC(C)c1ccccn1
InChIInChI=1S/C14H17N3O2/c1-4-11-13(10(3)19-17-11)14(18)16-9(2)12-7-5-6-8-15-12/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyMRUDOARPKCNLIM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.43
Rot. Bonds4

About 3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 18775321) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide
PubChem CID18775321
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC(C)c1ccccn1
InChIInChI=1S/C14H17N3O2/c1-4-11-13(10(3)19-17-11)14(18)16-9(2)12-7-5-6-8-15-12/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyMRUDOARPKCNLIM-UHFFFAOYSA-N
XLogP2.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-methyl-N-[(1S)-1-pyridin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 27233350
3-ethyl-5-methyl-N-(1-naphthalen-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 18192523
3-ethyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 51088312
(3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid
CID 95766310
3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 95150313
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43418034
N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 42929290
3-ethyl-5-methyl-N-[(1R)-1-[(1R,2R)-2-phenylcyclopropyl]ethyl]-1,2-oxazole-4-carboxamide
CID 124732366
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 41042462
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide (CID 18775321) is 3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC(C)c1ccccn1.
What is the InChIKey of 3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is MRUDOARPKCNLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-11-13(10(3)19-17-11)14(18)16-9(2)12-7-5-6-8-15-12/h5-9H,4H2,1-3H3,(H,16,18).
What are the key properties of 3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18775321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).