3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide

C15H16N4O4S2 — CID 121144936

IUPAC3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide
SMILESCn1c(=O)oc2ccc(S(=O)(=O)NC3CCN(c4nccs4)C3)cc21
InChIInChI=1S/C15H16N4O4S2/c1-18-12-8-11(2-3-13(12)23-15(18)20)25(21,22)17-10-4-6-19(9-10)14-16-5-7-24-14/h2-3,5,7-8,10,17H,4,6,9H2,1H3
InChIKeyPMXNWDYNAHCKQJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.15
Rot. Bonds4

About 3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide

3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide (PubChem CID 121144936) has the molecular formula C15H16N4O4S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide
PubChem CID121144936
Molecular FormulaC15H16N4O4S2
Molecular Weight380.45 g/mol
Exact Mass380.06
IUPAC Name3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide
SMILESCn1c(=O)oc2ccc(S(=O)(=O)NC3CCN(c4nccs4)C3)cc21
InChIInChI=1S/C15H16N4O4S2/c1-18-12-8-11(2-3-13(12)23-15(18)20)25(21,22)17-10-4-6-19(9-10)14-16-5-7-24-14/h2-3,5,7-8,10,17H,4,6,9H2,1H3
InChIKeyPMXNWDYNAHCKQJ-UHFFFAOYSA-N
XLogP1.15
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,4-difluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597498
4-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 71810066
5-chloro-2-methyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 121144890
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597507
3-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597489
3-methyl-2-oxo-N-(2-oxothiolan-3-yl)-1,3-benzoxazole-5-sulfonamide
CID 5312165
4-(3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597570
3-methyl-4-propoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597538
N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 83542954
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 126853951
2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide
CID 99875511
2,5-dichloro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597536

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of 3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide (CID 121144936) is 3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for 3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for 3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide is Cn1c(=O)oc2ccc(S(=O)(=O)NC3CCN(c4nccs4)C3)cc21.
What is the InChIKey of 3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide?
The InChIKey is PMXNWDYNAHCKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S2/c1-18-12-8-11(2-3-13(12)23-15(18)20)25(21,22)17-10-4-6-19(9-10)14-16-5-7-24-14/h2-3,5,7-8,10,17H,4,6,9H2,1H3.
What are the key properties of 3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide?
3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide has a molecular weight of 380.45 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 121144936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).