3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide

C15H20N4O2 — CID 94023291

IUPAC3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
SMILESCC(C)c1noc(CCC(=O)N[C@@H](C)c2cccnc2)n1
InChIInChI=1S/C15H20N4O2/c1-10(2)15-18-14(21-19-15)7-6-13(20)17-11(3)12-5-4-8-16-9-12/h4-5,8-11H,6-7H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyUFPKNEXMOXCKRC-NSHDSACASA-N
MW288.35 g/mol
LogP2.40
Rot. Bonds6

About 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide (PubChem CID 94023291) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide.

Molecular Properties

Compound Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
PubChem CID94023291
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
SMILESCC(C)c1noc(CCC(=O)N[C@@H](C)c2cccnc2)n1
InChIInChI=1S/C15H20N4O2/c1-10(2)15-18-14(21-19-15)7-6-13(20)17-11(3)12-5-4-8-16-9-12/h4-5,8-11H,6-7H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyUFPKNEXMOXCKRC-NSHDSACASA-N
XLogP2.40
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide with MolForge

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Related Compounds

4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
CID 24642203
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]propanamide
CID 96567500
N-[1-(3-bromophenyl)ethyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55625576
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39945984
(2R)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119244349
N-(2-amino-1-naphthalen-2-ylethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120567791
3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 94172680
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
CID 122560537
(2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 119368745
4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 51193160

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The IUPAC name of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide (CID 94023291) is 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide.
What is the SMILES notation for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The canonical SMILES for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide is CC(C)c1noc(CCC(=O)N[C@@H](C)c2cccnc2)n1.
What is the InChIKey of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
The InChIKey is UFPKNEXMOXCKRC-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)15-18-14(21-19-15)7-6-13(20)17-11(3)12-5-4-8-16-9-12/h4-5,8-11H,6-7H2,1-3H3,(H,17,20)/t11-/m0/s1.
What are the key properties of 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide?
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide has a molecular weight of 288.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide is sourced from PubChem (CID 94023291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).