N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

C16H23N5O2 — CID 56780423

IUPACN-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)c1cc(NC(=O)CN2CCCC2Cn2cccn2)on1
InChIInChI=1S/C16H23N5O2/c1-12(2)14-9-16(23-19-14)18-15(22)11-20-7-3-5-13(20)10-21-8-4-6-17-21/h4,6,8-9,12-13H,3,5,7,10-11H2,1-2H3,(H,18,22)
InChIKeyMDUCXASEYCACGQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.10
Rot. Bonds6

About N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide

N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 56780423) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID56780423
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)c1cc(NC(=O)CN2CCCC2Cn2cccn2)on1
InChIInChI=1S/C16H23N5O2/c1-12(2)14-9-16(23-19-14)18-15(22)11-20-7-3-5-13(20)10-21-8-4-6-17-21/h4,6,8-9,12-13H,3,5,7,10-11H2,1-2H3,(H,18,22)
InChIKeyMDUCXASEYCACGQ-UHFFFAOYSA-N
XLogP2.10
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide (CID 56780423) is N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is CC(C)c1cc(NC(=O)CN2CCCC2Cn2cccn2)on1.
What is the InChIKey of N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is MDUCXASEYCACGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12(2)14-9-16(23-19-14)18-15(22)11-20-7-3-5-13(20)10-21-8-4-6-17-21/h4,6,8-9,12-13H,3,5,7,10-11H2,1-2H3,(H,18,22).
What are the key properties of N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide?
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 56780423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).