3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide

C15H13N5O2 — CID 29368415

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)Nc1ncccn1
InChIInChI=1S/C15H13N5O2/c21-12(18-15-16-9-4-10-17-15)7-8-13-19-20-14(22-13)11-5-2-1-3-6-11/h1-6,9-10H,7-8H2,(H,16,17,18,21)
InChIKeyNLAOJZOKCHOAQI-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.10
Rot. Bonds5

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide (PubChem CID 29368415) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide
PubChem CID29368415
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)Nc1ncccn1
InChIInChI=1S/C15H13N5O2/c21-12(18-15-16-9-4-10-17-15)7-8-13-19-20-14(22-13)11-5-2-1-3-6-11/h1-6,9-10H,7-8H2,(H,16,17,18,21)
InChIKeyNLAOJZOKCHOAQI-UHFFFAOYSA-N
XLogP2.10
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-hydroxy-2-pyridinyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 30162184
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18107156
N-naphthalen-1-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 18859374
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30865201
N-(2-ethylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217348
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 30159568
N-phenyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330293
N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333760
N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29199706
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 7130632
N-cyclopentyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42346090
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide (CID 29368415) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide is O=C(CCc1nnc(-c2ccccc2)o1)Nc1ncccn1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide?
The InChIKey is NLAOJZOKCHOAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-12(18-15-16-9-4-10-17-15)7-8-13-19-20-14(22-13)11-5-2-1-3-6-11/h1-6,9-10H,7-8H2,(H,16,17,18,21).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide has a molecular weight of 295.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 29368415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).