N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

C14H14N4O5S — CID 122572680

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCn1c(=O)oc2ccc(S(=O)(=O)NCc3nc(C4CC4)no3)cc21
InChIInChI=1S/C14H14N4O5S/c1-18-10-6-9(4-5-11(10)22-14(18)19)24(20,21)15-7-12-16-13(17-23-12)8-2-3-8/h4-6,8,15H,2-3,7H2,1H3
InChIKeyVHCYPFJCVDBJGA-UHFFFAOYSA-N
MW350.36 g/mol
LogP0.87
Rot. Bonds5

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 122572680) has the molecular formula C14H14N4O5S and a molecular weight of 350.36 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
PubChem CID122572680
Molecular FormulaC14H14N4O5S
Molecular Weight350.36 g/mol
Exact Mass350.07
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCn1c(=O)oc2ccc(S(=O)(=O)NCc3nc(C4CC4)no3)cc21
InChIInChI=1S/C14H14N4O5S/c1-18-10-6-9(4-5-11(10)22-14(18)19)24(20,21)15-7-12-16-13(17-23-12)8-2-3-8/h4-6,8,15H,2-3,7H2,1H3
InChIKeyVHCYPFJCVDBJGA-UHFFFAOYSA-N
XLogP0.87
TPSA120.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-{2-[4-(5-Cyclopropyl-1,2,4-oxadiazol-3-YL)-4-methylpiperidin-1-YL]-2-oxoethyl}-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 91908236
N-(2-fluorophenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 53075432
N-(3-fluorophenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 53075433
N-(4-fluorophenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 53075434
N-[(4-Fluorophenyl)methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-YL)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 53075474
N-(3-fluoro-4-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 53075479
N-(4-fluoro-2-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 53075486
N-(2,4-difluorophenyl)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 53075524
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-fluorophenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 53075531
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-fluorophenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 53075532
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluorophenyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 53075533
3-[(5-Ethyl-1,2,4-oxadiazol-3-YL)methyl]-N-[(4-fluorophenyl)methyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 53075579

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 122572680) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is Cn1c(=O)oc2ccc(S(=O)(=O)NCc3nc(C4CC4)no3)cc21.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The InChIKey is VHCYPFJCVDBJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O5S/c1-18-10-6-9(4-5-11(10)22-14(18)19)24(20,21)15-7-12-16-13(17-23-12)8-2-3-8/h4-6,8,15H,2-3,7H2,1H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 350.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 122572680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).