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

C15H16ClN3O2 — CID 91959652

IUPAC3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nn2c(c1Cl)OCCC2
InChIInChI=1S/C15H16ClN3O2/c16-12-13(18-19-9-4-10-21-15(12)19)14(20)17-8-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,17,20)
InChIKeyDZHBLSCWGMZUPJ-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.29
Rot. Bonds4

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

3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 91959652) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID91959652
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1nn2c(c1Cl)OCCC2
InChIInChI=1S/C15H16ClN3O2/c16-12-13(18-19-9-4-10-21-15(12)19)14(20)17-8-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,17,20)
InChIKeyDZHBLSCWGMZUPJ-UHFFFAOYSA-N
XLogP2.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

7-chloro-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91960046
N-(2-phenylethyl)-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523783
N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537094
3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 4797057
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 1207738
(3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 91959655
2,3,6-trichloro-N-(2-phenylethyl)benzamide
CID 19171105
(3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]methanone
CID 91959602
N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 97104398
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959510
N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18108680
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 91959652) is 3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(NCCc1ccccc1)c1nn2c(c1Cl)OCCC2.
What is the InChIKey of 3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is DZHBLSCWGMZUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-13(18-19-9-4-10-21-15(12)19)14(20)17-8-7-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,17,20).
What are the key properties of 3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 91959652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).