3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide

C19H20N4O2 — CID 96567500

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide
SMILESCc1noc(CCC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C19H20N4O2/c1-13(21-18(24)9-10-19-22-14(2)23-25-19)15-5-7-16(8-6-15)17-4-3-11-20-12-17/h3-8,11-13H,9-10H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyOGWGVASETYUMKW-ZDUSSCGKSA-N
MW336.40 g/mol
LogP3.25
Rot. Bonds6

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide (PubChem CID 96567500) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide
PubChem CID96567500
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide
SMILESCc1noc(CCC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C19H20N4O2/c1-13(21-18(24)9-10-19-22-14(2)23-25-19)15-5-7-16(8-6-15)17-4-3-11-20-12-17/h3-8,11-13H,9-10H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyOGWGVASETYUMKW-ZDUSSCGKSA-N
XLogP3.25
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]propanamide
CID 46463313
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 94023291
N-[4-[1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 46472498
N-[1-(3-bromophenyl)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55625576
2-(methylamino)-N-[1-(4-pyridin-3-ylphenyl)ethyl]acetamide
CID 120704866
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46485160
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 87001177
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
CID 24642203
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9426673
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-methyl-1-phenylpropyl)propanamide
CID 86917615
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide
CID 55692680
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760240

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide (CID 96567500) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide is Cc1noc(CCC(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide?
The InChIKey is OGWGVASETYUMKW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(21-18(24)9-10-19-22-14(2)23-25-19)15-5-7-16(8-6-15)17-4-3-11-20-12-17/h3-8,11-13H,9-10H2,1-2H3,(H,21,24)/t13-/m0/s1.
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide has a molecular weight of 336.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 96567500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).