(2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide

C12H17N5O2 — CID 126445931

IUPAC(2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCCc1noc(CCNC(=O)[C@H](C)n2cccn2)n1
InChIInChI=1S/C12H17N5O2/c1-3-10-15-11(19-16-10)5-7-13-12(18)9(2)17-8-4-6-14-17/h4,6,8-9H,3,5,7H2,1-2H3,(H,13,18)/t9-/m0/s1
InChIKeyLDHZVFMMTFYJBP-VIFPVBQESA-N
MW263.30 g/mol
LogP0.75
Rot. Bonds6

About (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide

(2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 126445931) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide
PubChem CID126445931
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name(2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCCc1noc(CCNC(=O)[C@H](C)n2cccn2)n1
InChIInChI=1S/C12H17N5O2/c1-3-10-15-11(19-16-10)5-7-13-12(18)9(2)17-8-4-6-14-17/h4,6,8-9H,3,5,7H2,1-2H3,(H,13,18)/t9-/m0/s1
InChIKeyLDHZVFMMTFYJBP-VIFPVBQESA-N
XLogP0.75
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide (CID 126445931) is (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide is CCc1noc(CCNC(=O)[C@H](C)n2cccn2)n1.
What is the InChIKey of (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is LDHZVFMMTFYJBP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-10-15-11(19-16-10)5-7-13-12(18)9(2)17-8-4-6-14-17/h4,6,8-9H,3,5,7H2,1-2H3,(H,13,18)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide?
(2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 263.30 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 126445931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).