3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C12H16ClN3O3 — CID 91959628

IUPAC3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1nn2c(c1Cl)OCCC2
InChIInChI=1S/C12H16ClN3O3/c13-9-10(15-16-4-2-6-19-12(9)16)11(17)14-7-8-3-1-5-18-8/h8H,1-7H2,(H,14,17)
InChIKeyVFTADFDAKOTJRD-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.23
Rot. Bonds3

About 3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 91959628) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID91959628
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1nn2c(c1Cl)OCCC2
InChIInChI=1S/C12H16ClN3O3/c13-9-10(15-16-4-2-6-19-12(9)16)11(17)14-7-8-3-1-5-18-8/h8H,1-7H2,(H,14,17)
InChIKeyVFTADFDAKOTJRD-UHFFFAOYSA-N
XLogP1.23
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide with MolForge

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Related Compounds

7-chloro-N-(oxolan-2-ylmethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960030
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
3-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959562
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)phthalazine-1-carboxamide
CID 42690864
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-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
1-chloro-N-(oxolan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765879

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 91959628) is 3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(NCC1CCCO1)c1nn2c(c1Cl)OCCC2.
What is the InChIKey of 3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is VFTADFDAKOTJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c13-9-10(15-16-4-2-6-19-12(9)16)11(17)14-7-8-3-1-5-18-8/h8H,1-7H2,(H,14,17).
What are the key properties of 3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 91959628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).