N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide

C12H13N3O2 — CID 110865452

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
SMILESCc1cc(NC(=O)CCc2cccnc2)no1
InChIInChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)14-12(16)5-4-10-3-2-6-13-8-10/h2-3,6-8H,4-5H2,1H3,(H,14,15,16)
InChIKeyLBUXEWKMWQHBEQ-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.95
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide (PubChem CID 110865452) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
PubChem CID110865452
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
SMILESCc1cc(NC(=O)CCc2cccnc2)no1
InChIInChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)14-12(16)5-4-10-3-2-6-13-8-10/h2-3,6-8H,4-5H2,1H3,(H,14,15,16)
InChIKeyLBUXEWKMWQHBEQ-UHFFFAOYSA-N
XLogP1.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminophenyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 54905585
2-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110296524
1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea
CID 56826368
N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259097
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 51102289
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
N-(5-fluoro-2-methylphenyl)-3-pyridin-3-ylpropanamide
CID 9208566
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
CID 112507057
N-(5-ethyl-1H-pyrazol-3-yl)-3-pyridin-3-ylpropanamide
CID 47423313
N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide
CID 113037695
N-(5-methyl-1,2-oxazol-3-yl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235488
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-ylacetamide
CID 110697404

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide (CID 110865452) is N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide is Cc1cc(NC(=O)CCc2cccnc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide?
The InChIKey is LBUXEWKMWQHBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)14-12(16)5-4-10-3-2-6-13-8-10/h2-3,6-8H,4-5H2,1H3,(H,14,15,16).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide has a molecular weight of 231.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 110865452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).