1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine

C16H21N3O4S — CID 138999045

IUPAC1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine
SMILESCc1nn(C)c2c1N(S(=O)(=O)c1ccc(OC(C)C)cc1)CCO2
InChIInChI=1S/C16H21N3O4S/c1-11(2)23-13-5-7-14(8-6-13)24(20,21)19-9-10-22-16-15(19)12(3)17-18(16)4/h5-8,11H,9-10H2,1-4H3
InChIKeyFCKGPURZBXDEJW-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.10
Rot. Bonds4

About 1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine

1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine (PubChem CID 138999045) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine
PubChem CID138999045
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine
SMILESCc1nn(C)c2c1N(S(=O)(=O)c1ccc(OC(C)C)cc1)CCO2
InChIInChI=1S/C16H21N3O4S/c1-11(2)23-13-5-7-14(8-6-13)24(20,21)19-9-10-22-16-15(19)12(3)17-18(16)4/h5-8,11H,9-10H2,1-4H3
InChIKeyFCKGPURZBXDEJW-UHFFFAOYSA-N
XLogP2.10
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone
CID 138999050
4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine
CID 139003080
10-(4-propan-2-yloxyphenyl)sulfonyl-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 110670820
N-(4-cyano-1,3-dimethylpyrazol-5-yl)-4-propan-2-yloxybenzenesulfonamide
CID 126833875
1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine
CID 110868064
1-methyl-4-(4-propan-2-yloxyphenyl)sulfonyl-3H-quinoxalin-2-one
CID 110669678
4-(4-methoxyphenyl)sulfonyl-5,7-dimethyl-2,3-dihydro-1,4-benzoxazine
CID 110720697
4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 110667530
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321
N,N-dimethyl-2-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]ethanamine
CID 113073649
(3S)-1-[3,5-dimethyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-4-yl]sulfonyl-3-methylpiperidine
CID 40813512
3-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156844

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine?
The IUPAC name of 1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine (CID 138999045) is 1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine.
What is the SMILES notation for 1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine?
The canonical SMILES for 1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine is Cc1nn(C)c2c1N(S(=O)(=O)c1ccc(OC(C)C)cc1)CCO2.
What is the InChIKey of 1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine?
The InChIKey is FCKGPURZBXDEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-11(2)23-13-5-7-14(8-6-13)24(20,21)19-9-10-22-16-15(19)12(3)17-18(16)4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine?
1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine has a molecular weight of 351.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine is sourced from PubChem (CID 138999045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).