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

C11H14ClN3O3 — CID 91960030

IUPAC7-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NCC1CCCO1)c1nn2c(c1Cl)OCC2
InChIInChI=1S/C11H14ClN3O3/c12-8-9(14-15-3-5-18-11(8)15)10(16)13-6-7-2-1-4-17-7/h7H,1-6H2,(H,13,16)
InChIKeyXXYLQWSKPLPFCY-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.84
Rot. Bonds3

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

7-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91960030) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 7-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91960030
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name7-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NCC1CCCO1)c1nn2c(c1Cl)OCC2
InChIInChI=1S/C11H14ClN3O3/c12-8-9(14-15-3-5-18-11(8)15)10(16)13-6-7-2-1-4-17-7/h7H,1-6H2,(H,13,16)
InChIKeyXXYLQWSKPLPFCY-UHFFFAOYSA-N
XLogP0.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959628
7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960046
2,3,4,5-tetrachloro-6-[[(2S)-oxolan-2-yl]methylcarbamoyl]benzoate
CID 6980634
2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 136538538
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-[[(2R)-oxolan-2-yl]methylcarbamoyl]cyclohexene-1-carboxylic acid
CID 40951021
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
6-(3-chloro-4-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365928
2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 1091764
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-(oxolan-2-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388812
N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 94913783

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of 7-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91960030) is 7-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for 7-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for 7-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is O=C(NCC1CCCO1)c1nn2c(c1Cl)OCC2.
What is the InChIKey of 7-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is XXYLQWSKPLPFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c12-8-9(14-15-3-5-18-11(8)15)10(16)13-6-7-2-1-4-17-7/h7H,1-6H2,(H,13,16).
What are the key properties of 7-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
7-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 271.70 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91960030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).