N-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide

C18H22N4O5S — CID 166341434

IUPACN-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NCc3conc3C(C)(C)C)ccc2n(C)c1=O
InChIInChI=1S/C18H22N4O5S/c1-18(2,3)15-11(10-27-20-15)9-19-28(25,26)12-6-7-14-13(8-12)16(23)22(5)17(24)21(14)4/h6-8,10,19H,9H2,1-5H3
InChIKeyGWLHLVRUEOUFPI-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.00
Rot. Bonds4

About N-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide

N-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 166341434) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID166341434
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC NameN-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NCc3conc3C(C)(C)C)ccc2n(C)c1=O
InChIInChI=1S/C18H22N4O5S/c1-18(2,3)15-11(10-27-20-15)9-19-28(25,26)12-6-7-14-13(8-12)16(23)22(5)17(24)21(14)4/h6-8,10,19H,9H2,1-5H3
InChIKeyGWLHLVRUEOUFPI-UHFFFAOYSA-N
XLogP1.00
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide with MolForge

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Related Compounds

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid
CID 46786417
1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonic acid
CID 22642050
(2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid
CID 51983971
3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide
CID 46257551
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 154763658
1,3-dimethyl-2,4-dioxo-N-(2-oxooxolan-3-yl)quinazoline-6-sulfonamide
CID 51066200
1,3-dimethyl-2,4-dioxo-N-[(1S,2S)-2-phenylcyclopropyl]quinazoline-6-sulfonamide
CID 51500253
N-(2,4-difluorophenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 3328350
N-[(4-fluorophenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886481
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003
N,1,3-triethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 4093912
3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 46257550

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of N-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide (CID 166341434) is N-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for N-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for N-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide is Cn1c(=O)c2cc(S(=O)(=O)NCc3conc3C(C)(C)C)ccc2n(C)c1=O.
What is the InChIKey of N-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is GWLHLVRUEOUFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-18(2,3)15-11(10-27-20-15)9-19-28(25,26)12-6-7-14-13(8-12)16(23)22(5)17(24)21(14)4/h6-8,10,19H,9H2,1-5H3.
What are the key properties of N-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
N-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 406.46 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1,2-oxazol-4-yl)methyl]-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 166341434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).