5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

C15H14N4O3 — CID 97429668

IUPAC5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESN#Cc1ccc(-c2nc(C(=O)NC[C@@H]3CCCO3)no2)cc1
InChIInChI=1S/C15H14N4O3/c16-8-10-3-5-11(6-4-10)15-18-13(19-22-15)14(20)17-9-12-2-1-7-21-12/h3-6,12H,1-2,7,9H2,(H,17,20)/t12-/m0/s1
InChIKeyCKYMKADLKDEHCT-LBPRGKRZSA-N
MW298.30 g/mol
LogP1.52
Rot. Bonds4

About 5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 97429668) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID97429668
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESN#Cc1ccc(-c2nc(C(=O)NC[C@@H]3CCCO3)no2)cc1
InChIInChI=1S/C15H14N4O3/c16-8-10-3-5-11(6-4-10)15-18-13(19-22-15)14(20)17-9-12-2-1-7-21-12/h3-6,12H,1-2,7,9H2,(H,17,20)/t12-/m0/s1
InChIKeyCKYMKADLKDEHCT-LBPRGKRZSA-N
XLogP1.52
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 127266585
N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
4-(6-cyano-2-pyridinyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126429778
2-[(4-cyanobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 43013852
3-(4-cyanoanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015978
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39819010
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252493
4-(oxolan-2-ylmethylamino)benzonitrile
CID 43176893
3-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472669
N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
CID 95094168
2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324832

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 97429668) is 5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is N#Cc1ccc(-c2nc(C(=O)NC[C@@H]3CCCO3)no2)cc1.
What is the InChIKey of 5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is CKYMKADLKDEHCT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14N4O3/c16-8-10-3-5-11(6-4-10)15-18-13(19-22-15)14(20)17-9-12-2-1-7-21-12/h3-6,12H,1-2,7,9H2,(H,17,20)/t12-/m0/s1.
What are the key properties of 5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 97429668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).