N-(4-carbamoylphenyl)-6-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

C21H20N4O3 — CID 91894454

IUPACN-(4-carbamoylphenyl)-6-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCc1ccc(C2Cn3nc(C(=O)Nc4ccc(C(N)=O)cc4)cc3CO2)cc1
InChIInChI=1S/C21H20N4O3/c1-13-2-4-14(5-3-13)19-11-25-17(12-28-19)10-18(24-25)21(27)23-16-8-6-15(7-9-16)20(22)26/h2-10,19H,11-12H2,1H3,(H2,22,26)(H,23,27)
InChIKeyNBXMHAYVGTZCEW-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.81
Rot. Bonds4

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

N-(4-carbamoylphenyl)-6-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 91894454) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-6-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-6-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID91894454
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(4-carbamoylphenyl)-6-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCc1ccc(C2Cn3nc(C(=O)Nc4ccc(C(N)=O)cc4)cc3CO2)cc1
InChIInChI=1S/C21H20N4O3/c1-13-2-4-14(5-3-13)19-11-25-17(12-28-19)10-18(24-25)21(27)23-16-8-6-15(7-9-16)20(22)26/h2-10,19H,11-12H2,1H3,(H2,22,26)(H,23,27)
InChIKeyNBXMHAYVGTZCEW-UHFFFAOYSA-N
XLogP2.81
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-6-(1,3-benzodioxol-5-yl)-N-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99758552
(6R)-N-(3-fluorophenyl)-6-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 125127012
6-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889743
(6S)-6-(1,3-benzodioxol-5-yl)-N-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99745107
6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889794
(6R)-N-(4-methylphenyl)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125128243
[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 99744862
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889759
(6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99744913
6-(4-methylphenyl)-N-(4-methylsulfanylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 87053939
6-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889807
(6R)-6-(4-bromophenyl)-N-(2-chloro-5-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99745076

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-6-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-6-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 91894454) is N-(4-carbamoylphenyl)-6-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-6-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-6-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is Cc1ccc(C2Cn3nc(C(=O)Nc4ccc(C(N)=O)cc4)cc3CO2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-6-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is NBXMHAYVGTZCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-2-4-14(5-3-13)19-11-25-17(12-28-19)10-18(24-25)21(27)23-16-8-6-15(7-9-16)20(22)26/h2-10,19H,11-12H2,1H3,(H2,22,26)(H,23,27).
What are the key properties of N-(4-carbamoylphenyl)-6-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
N-(4-carbamoylphenyl)-6-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-6-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 91894454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).