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

C15H17N3O2 — CID 90537177

IUPACN-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnn3c2OCCC3)c1
InChIInChI=1S/C15H17N3O2/c1-10-6-11(2)8-12(7-10)17-14(19)13-9-16-18-4-3-5-20-15(13)18/h6-9H,3-5H2,1-2H3,(H,17,19)
InChIKeyKIKVDCHONTYMIK-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.53
Rot. Bonds2

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

N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 90537177) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID90537177
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnn3c2OCCC3)c1
InChIInChI=1S/C15H17N3O2/c1-10-6-11(2)8-12(7-10)17-14(19)13-9-16-18-4-3-5-20-15(13)18/h6-9H,3-5H2,1-2H3,(H,17,19)
InChIKeyKIKVDCHONTYMIK-UHFFFAOYSA-N
XLogP2.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537133
N-[4-(dimethylamino)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537142
N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90536986
N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537178
N-(4-methylsulfonylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789497
N-(3-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537265
N-(1H-indazol-6-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789493
3-[(4-fluorosulfonyloxyphenyl)carbamoyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 154872188
N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537169
N-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 66942371
N-[4-(tetrazol-1-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789417
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 167770344

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 90537177) is N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cnn3c2OCCC3)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is KIKVDCHONTYMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-6-11(2)8-12(7-10)17-14(19)13-9-16-18-4-3-5-20-15(13)18/h6-9H,3-5H2,1-2H3,(H,17,19).
What are the key properties of N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 90537177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).