7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C12H17ClN4O2 — CID 91960046

IUPAC7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NCCN1CCCC1)c1nn2c(c1Cl)OCC2
InChIInChI=1S/C12H17ClN4O2/c13-9-10(15-17-7-8-19-12(9)17)11(18)14-3-6-16-4-1-2-5-16/h1-8H2,(H,14,18)
InChIKeyKPHNLTUXYIBFBT-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.75
Rot. Bonds4

About 7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960046) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960046
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NCCN1CCCC1)c1nn2c(c1Cl)OCC2
InChIInChI=1S/C12H17ClN4O2/c13-9-10(15-17-7-8-19-12(9)17)11(18)14-3-6-16-4-1-2-5-16/h1-8H2,(H,14,18)
InChIKeyKPHNLTUXYIBFBT-UHFFFAOYSA-N
XLogP0.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-N-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959618
3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959652
7-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959930
3-chloro-N-(3-indol-1-ylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959575
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 1397872
7-methyl-N-[3-(2-methylimidazol-1-yl)propyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959914
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 112575773
5-chloro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 25237516
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241
2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173608

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960046) is 7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is O=C(NCCN1CCCC1)c1nn2c(c1Cl)OCC2.
What is the InChIKey of 7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is KPHNLTUXYIBFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c13-9-10(15-17-7-8-19-12(9)17)11(18)14-3-6-16-4-1-2-5-16/h1-8H2,(H,14,18).
What are the key properties of 7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).