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

C12H17N5O2 — CID 125142916

IUPAC(2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCc1nc(CCN(C)C(=O)[C@@H](C)n2cccn2)no1
InChIInChI=1S/C12H17N5O2/c1-9(17-7-4-6-13-17)12(18)16(3)8-5-11-14-10(2)19-15-11/h4,6-7,9H,5,8H2,1-3H3/t9-/m1/s1
InChIKeyTYCSMAACWDCAFS-SECBINFHSA-N
MW263.30 g/mol
LogP0.84
Rot. Bonds5

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

(2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 125142916) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide
PubChem CID125142916
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name(2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCc1nc(CCN(C)C(=O)[C@@H](C)n2cccn2)no1
InChIInChI=1S/C12H17N5O2/c1-9(17-7-4-6-13-17)12(18)16(3)8-5-11-14-10(2)19-15-11/h4,6-7,9H,5,8H2,1-3H3/t9-/m1/s1
InChIKeyTYCSMAACWDCAFS-SECBINFHSA-N
XLogP0.84
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide (CID 125142916) is (2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide is Cc1nc(CCN(C)C(=O)[C@@H](C)n2cccn2)no1.
What is the InChIKey of (2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is TYCSMAACWDCAFS-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-9(17-7-4-6-13-17)12(18)16(3)8-5-11-14-10(2)19-15-11/h4,6-7,9H,5,8H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide?
(2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 263.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 125142916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).