N-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide

C19H21N5O3 — CID 146220522

IUPACN-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide
SMILESCO[C@H]1CCN(c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)no2)C1
InChIInChI=1S/C19H21N5O3/c1-26-16-7-8-23(13-16)18-9-17(22-27-18)19(25)21-15-10-20-24(12-15)11-14-5-3-2-4-6-14/h2-6,9-10,12,16H,7-8,11,13H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyRRTSDHWLZVYCFW-INIZCTEOSA-N
MW367.41 g/mol
LogP2.40
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide (PubChem CID 146220522) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide
PubChem CID146220522
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide
SMILESCO[C@H]1CCN(c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)no2)C1
InChIInChI=1S/C19H21N5O3/c1-26-16-7-8-23(13-16)18-9-17(22-27-18)19(25)21-15-10-20-24(12-15)11-14-5-3-2-4-6-14/h2-6,9-10,12,16H,7-8,11,13H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyRRTSDHWLZVYCFW-INIZCTEOSA-N
XLogP2.40
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide 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-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide (CID 146220522) is N-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide is CO[C@H]1CCN(c2cc(C(=O)Nc3cnn(Cc4ccccc4)c3)no2)C1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is RRTSDHWLZVYCFW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-26-16-7-8-23(13-16)18-9-17(22-27-18)19(25)21-15-10-20-24(12-15)11-14-5-3-2-4-6-14/h2-6,9-10,12,16H,7-8,11,13H2,1H3,(H,21,25)/t16-/m0/s1.
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-[(3S)-3-methoxypyrrolidin-1-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).