N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C19H18N4O2 — CID 166519137

IUPACN-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)c1nc(-c2ccnc(C3CC3)c2)no1
InChIInChI=1S/C19H18N4O2/c1-12(21-18(24)14-5-3-2-4-6-14)19-22-17(23-25-19)15-9-10-20-16(11-15)13-7-8-13/h2-6,9-13H,7-8H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyOBWUJAQAVYIDBX-LBPRGKRZSA-N
MW334.38 g/mol
LogP3.50
Rot. Bonds5

About N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 166519137) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID166519137
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)c1nc(-c2ccnc(C3CC3)c2)no1
InChIInChI=1S/C19H18N4O2/c1-12(21-18(24)14-5-3-2-4-6-14)19-22-17(23-25-19)15-9-10-20-16(11-15)13-7-8-13/h2-6,9-13H,7-8H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyOBWUJAQAVYIDBX-LBPRGKRZSA-N
XLogP3.50
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 166099668
N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 169079675
2-cyclobutyl-N-[1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide
CID 175204663
N-benzyl-2-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 166099671
N-[1-[3-(1-cyclopentylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 22586328
N-[(1S)-1-[3-(2-cyclobutyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272367
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
N-[(1R)-1-[3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 95102290
N-[1-[3-(3-methylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53172588
N-[1-[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 22586339
N-[1-[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53172631
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 166519137) is N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is C[C@H](NC(=O)c1ccccc1)c1nc(-c2ccnc(C3CC3)c2)no1.
What is the InChIKey of N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is OBWUJAQAVYIDBX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12(21-18(24)14-5-3-2-4-6-14)19-22-17(23-25-19)15-9-10-20-16(11-15)13-7-8-13/h2-6,9-13H,7-8H2,1H3,(H,21,24)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 334.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 166519137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).