(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

C15H21N5O2 — CID 129447803

IUPAC(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2CCC[C@H]2Cn2cccn2)no1
InChIInChI=1S/C15H21N5O2/c1-11-9-14(18-22-11)17-15(21)12(2)20-8-3-5-13(20)10-19-7-4-6-16-19/h4,6-7,9,12-13H,3,5,8,10H2,1-2H3,(H,17,18,21)/t12-,13+/m1/s1
InChIKeyJJHJRZJZYXNYOE-OLZOCXBDSA-N
MW303.37 g/mol
LogP1.67
Rot. Bonds5

About (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (PubChem CID 129447803) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
PubChem CID129447803
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2CCC[C@H]2Cn2cccn2)no1
InChIInChI=1S/C15H21N5O2/c1-11-9-14(18-22-11)17-15(21)12(2)20-8-3-5-13(20)10-19-7-4-6-16-19/h4,6-7,9,12-13H,3,5,8,10H2,1-2H3,(H,17,18,21)/t12-,13+/m1/s1
InChIKeyJJHJRZJZYXNYOE-OLZOCXBDSA-N
XLogP1.67
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (CID 129447803) is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is Cc1cc(NC(=O)[C@@H](C)N2CCC[C@H]2Cn2cccn2)no1.
What is the InChIKey of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is JJHJRZJZYXNYOE-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11-9-14(18-22-11)17-15(21)12(2)20-8-3-5-13(20)10-19-7-4-6-16-19/h4,6-7,9,12-13H,3,5,8,10H2,1-2H3,(H,17,18,21)/t12-,13+/m1/s1.
What are the key properties of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 303.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 129447803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).