N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide

C13H14N4O2 — CID 110330476

IUPACN-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESC=CCNC(=O)CCc1nnc(-c2ccncc2)o1
InChIInChI=1S/C13H14N4O2/c1-2-7-15-11(18)3-4-12-16-17-13(19-12)10-5-8-14-9-6-10/h2,5-6,8-9H,1,3-4,7H2,(H,15,18)
InChIKeySVLKJKVKLXQWOS-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.37
Rot. Bonds6

About N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide

N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110330476) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110330476
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESC=CCNC(=O)CCc1nnc(-c2ccncc2)o1
InChIInChI=1S/C13H14N4O2/c1-2-7-15-11(18)3-4-12-16-17-13(19-12)10-5-8-14-9-6-10/h2,5-6,8-9H,1,3-4,7H2,(H,15,18)
InChIKeySVLKJKVKLXQWOS-UHFFFAOYSA-N
XLogP1.37
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide
CID 110334119
N-prop-2-enyl-3-pyridin-4-ylpropanamide
CID 110468372
N-[(3,4-dimethoxyphenyl)methyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330528
N-[2-(3-chlorophenyl)ethyl]-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330549
N-(3-acetamidophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330586
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbut-2-enyl)propanamide
CID 86819551
4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432
N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330596
N-(3-chlorophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330570
3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110330590
3-(2-fluorophenyl)-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 46956959
N-(3-bromo-4-methylphenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330578

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 110330476) is N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide is C=CCNC(=O)CCc1nnc(-c2ccncc2)o1.
What is the InChIKey of N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is SVLKJKVKLXQWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-2-7-15-11(18)3-4-12-16-17-13(19-12)10-5-8-14-9-6-10/h2,5-6,8-9H,1,3-4,7H2,(H,15,18).
What are the key properties of N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 258.28 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110330476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).