(6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

C19H23N3O2 — CID 125127222

IUPAC(6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2n(n1)C[C@H](c1ccccc1)OC2
InChIInChI=1S/C19H23N3O2/c23-19(20-15-9-5-2-6-10-15)17-11-16-13-24-18(12-22(16)21-17)14-7-3-1-4-8-14/h1,3-4,7-8,11,15,18H,2,5-6,9-10,12-13H2,(H,20,23)/t18-/m1/s1
InChIKeyLPJFYCOWZCLXJY-GOSISDBHSA-N
MW325.41 g/mol
LogP3.22
Rot. Bonds3

About (6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

(6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 125127222) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name(6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID125127222
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2n(n1)C[C@H](c1ccccc1)OC2
InChIInChI=1S/C19H23N3O2/c23-19(20-15-9-5-2-6-10-15)17-11-16-13-24-18(12-22(16)21-17)14-7-3-1-4-8-14/h1,3-4,7-8,11,15,18H,2,5-6,9-10,12-13H2,(H,20,23)/t18-/m1/s1
InChIKeyLPJFYCOWZCLXJY-GOSISDBHSA-N
XLogP3.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide with MolForge

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Related Compounds

(6S)-6-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99738797
(6S)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 125128055
(6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99744958
6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889794
[(6S)-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanol
CID 129497525
N-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014510
6-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889818
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
6-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889743
6-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889816
6-(4-fluorophenyl)-N-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91894491
(6R)-N-(4-acetamidophenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 125126579

Frequently Asked Questions

What is the IUPAC name of (6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of (6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 125127222) is (6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for (6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for (6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is O=C(NC1CCCCC1)c1cc2n(n1)C[C@H](c1ccccc1)OC2.
What is the InChIKey of (6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is LPJFYCOWZCLXJY-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(20-15-9-5-2-6-10-15)17-11-16-13-24-18(12-22(16)21-17)14-7-3-1-4-8-14/h1,3-4,7-8,11,15,18H,2,5-6,9-10,12-13H2,(H,20,23)/t18-/m1/s1.
What are the key properties of (6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
(6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclohexyl-6-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 125127222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).