3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide

C14H15N3O5S — CID 110404443

IUPAC3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1Oc2ccccc2NC1=O
InChIInChI=1S/C14H15N3O5S/c1-8-13(9(2)22-17-8)23(19,20)15-7-12-14(18)16-10-5-3-4-6-11(10)21-12/h3-6,12,15H,7H2,1-2H3,(H,16,18)
InChIKeyGJTRMVDYBHYUNA-UHFFFAOYSA-N
MW337.36 g/mol
LogP0.97
Rot. Bonds4

About 3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 110404443) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
PubChem CID110404443
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1Oc2ccccc2NC1=O
InChIInChI=1S/C14H15N3O5S/c1-8-13(9(2)22-17-8)23(19,20)15-7-12-14(18)16-10-5-3-4-6-11(10)21-12/h3-6,12,15H,7H2,1-2H3,(H,16,18)
InChIKeyGJTRMVDYBHYUNA-UHFFFAOYSA-N
XLogP0.97
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6931804
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 34142954
2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
CID 110404413
N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110404453
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 93157673
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 110734385
3,5-dimethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 90619979
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51710552
3,5-dimethyl-N-[2-(2-oxo-1-pyridinyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 75512081
3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 42949928
N-(2,2-diphenylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 26545265
3,5-dimethyl-N-[[(4R)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94640718

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide (CID 110404443) is 3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCC1Oc2ccccc2NC1=O.
What is the InChIKey of 3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is GJTRMVDYBHYUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-8-13(9(2)22-17-8)23(19,20)15-7-12-14(18)16-10-5-3-4-6-11(10)21-12/h3-6,12,15H,7H2,1-2H3,(H,16,18).
What are the key properties of 3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 337.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110404443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).