3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide

C14H17N3O2 — CID 125441013

IUPAC3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide
SMILESCC[C@H](NC(=O)CCc1ccno1)c1cccnc1
InChIInChI=1S/C14H17N3O2/c1-2-13(11-4-3-8-15-10-11)17-14(18)6-5-12-7-9-16-19-12/h3-4,7-10,13H,2,5-6H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyZMUPACOUGNTUGI-ZDUSSCGKSA-N
MW259.31 g/mol
LogP2.27
Rot. Bonds6

About 3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide

3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide (PubChem CID 125441013) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide.

Molecular Properties

Compound Name3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide
PubChem CID125441013
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide
SMILESCC[C@H](NC(=O)CCc1ccno1)c1cccnc1
InChIInChI=1S/C14H17N3O2/c1-2-13(11-4-3-8-15-10-11)17-14(18)6-5-12-7-9-16-19-12/h3-4,7-10,13H,2,5-6H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyZMUPACOUGNTUGI-ZDUSSCGKSA-N
XLogP2.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide
CID 59951658
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide
CID 126431719
3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide
CID 120613150
3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide
CID 91796729
ethyl (3S)-3-pyridin-3-yl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoate
CID 146150565
3-amino-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884915
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 94023291
ethyl 3-[(2-aminoacetyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride
CID 70248930
ethane;[2-(octanoylamino)-2-pyridin-3-ylethyl] dihydrogen phosphate
CID 91028509
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
CID 135110911
2-(propanoylamino)-2-pyridin-3-ylacetic acid
CID 82077606

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide?
The IUPAC name of 3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide (CID 125441013) is 3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide.
What is the SMILES notation for 3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide?
The canonical SMILES for 3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide is CC[C@H](NC(=O)CCc1ccno1)c1cccnc1.
What is the InChIKey of 3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide?
The InChIKey is ZMUPACOUGNTUGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-13(11-4-3-8-15-10-11)17-14(18)6-5-12-7-9-16-19-12/h3-4,7-10,13H,2,5-6H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide?
3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide has a molecular weight of 259.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide is sourced from PubChem (CID 125441013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).