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

C13H19N5O2 — CID 126446389

IUPAC3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(C)c1noc([C@H](C)NC(=O)CCn2ccnc2)n1
InChIInChI=1S/C13H19N5O2/c1-9(2)12-16-13(20-17-12)10(3)15-11(19)4-6-18-7-5-14-8-18/h5,7-10H,4,6H2,1-3H3,(H,15,19)/t10-/m0/s1
InChIKeySWWITXKFGKMVBU-JTQLQIEISA-N
MW277.33 g/mol
LogP1.66
Rot. Bonds6

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

3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 126446389) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID126446389
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(C)c1noc([C@H](C)NC(=O)CCn2ccnc2)n1
InChIInChI=1S/C13H19N5O2/c1-9(2)12-16-13(20-17-12)10(3)15-11(19)4-6-18-7-5-14-8-18/h5,7-10H,4,6H2,1-3H3,(H,15,19)/t10-/m0/s1
InChIKeySWWITXKFGKMVBU-JTQLQIEISA-N
XLogP1.66
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxybutan-2-yl)-3-imidazol-1-ylpropanamide
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CID 125172081
N-[(2R)-1-hydroxybutan-2-yl]-3-imidazol-1-ylpropanamide
CID 103919885
N-[(1R)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-imidazol-1-ylpropanamide
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N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352
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CID 24702639
formic acid;3-imidazol-1-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 154907579
N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 91843379
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 94023291
2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95551075
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95193053
N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 126446389) is 3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is CC(C)c1noc([C@H](C)NC(=O)CCn2ccnc2)n1.
What is the InChIKey of 3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is SWWITXKFGKMVBU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9(2)12-16-13(20-17-12)10(3)15-11(19)4-6-18-7-5-14-8-18/h5,7-10H,4,6H2,1-3H3,(H,15,19)/t10-/m0/s1.
What are the key properties of 3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 277.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 126446389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).