4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine

C14H16N2O4S — CID 3673325

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1noc(C)c1S(=O)(=O)N1c2ccccc2OCC1C
InChIInChI=1S/C14H16N2O4S/c1-9-8-19-13-7-5-4-6-12(13)16(9)21(17,18)14-10(2)15-20-11(14)3/h4-7,9H,8H2,1-3H3
InChIKeyCIUOWRXWCPENNM-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.27
Rot. Bonds2

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 3673325) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID3673325
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1noc(C)c1S(=O)(=O)N1c2ccccc2OCC1C
InChIInChI=1S/C14H16N2O4S/c1-9-8-19-13-7-5-4-6-12(13)16(9)21(17,18)14-10(2)15-20-11(14)3/h4-7,9H,8H2,1-3H3
InChIKeyCIUOWRXWCPENNM-UHFFFAOYSA-N
XLogP2.27
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 6931804
(2S,5S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,5-dimethylmorpholine
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4-(4-butoxyphenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine
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N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethylpiperidine-4-carboxamide
CID 55413369
3,5-dimethyl-4-(2-phenylazetidin-1-yl)sulfonyl-1,2-oxazole
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N-[3-methoxy-4-[[(3S)-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]phenyl]ethanesulfonamide
CID 99780415
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 90589443
N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 8841592
N-(3,4-dihydro-2H-chromen-4-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110751240
2,3-dihydro-1,4-benzothiazin-4-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine (CID 3673325) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine is Cc1noc(C)c1S(=O)(=O)N1c2ccccc2OCC1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is CIUOWRXWCPENNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-9-8-19-13-7-5-4-6-12(13)16(9)21(17,18)14-10(2)15-20-11(14)3/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 308.36 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 3673325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).