N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide

C18H16N4O4S — CID 75476237

IUPACN-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide
SMILESO=C(c1cc(-c2cccnc2)on1)N1CC(S(=O)(=O)Nc2ccccc2)C1
InChIInChI=1S/C18H16N4O4S/c23-18(16-9-17(26-20-16)13-5-4-8-19-10-13)22-11-15(12-22)27(24,25)21-14-6-2-1-3-7-14/h1-10,15,21H,11-12H2
InChIKeyNIPSDJFYSBGDHO-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.00
Rot. Bonds5

About N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide

N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide (PubChem CID 75476237) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide.

Molecular Properties

Compound NameN-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide
PubChem CID75476237
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC NameN-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide
SMILESO=C(c1cc(-c2cccnc2)on1)N1CC(S(=O)(=O)Nc2ccccc2)C1
InChIInChI=1S/C18H16N4O4S/c23-18(16-9-17(26-20-16)13-5-4-8-19-10-13)22-11-15(12-22)27(24,25)21-14-6-2-1-3-7-14/h1-10,15,21H,11-12H2
InChIKeyNIPSDJFYSBGDHO-UHFFFAOYSA-N
XLogP2.00
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-benzylsulfonylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 119105556
phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 166181719
(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone
CID 87019769
1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione
CID 126851197
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
(4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 50760121
[3-(fluoromethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 163351427
(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 119579801
(7-phenyl-1,4-thiazepan-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 90629503
(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 47044991
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 120813991

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide?
The IUPAC name of N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide (CID 75476237) is N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide.
What is the SMILES notation for N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide?
The canonical SMILES for N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide is O=C(c1cc(-c2cccnc2)on1)N1CC(S(=O)(=O)Nc2ccccc2)C1.
What is the InChIKey of N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide?
The InChIKey is NIPSDJFYSBGDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c23-18(16-9-17(26-20-16)13-5-4-8-19-10-13)22-11-15(12-22)27(24,25)21-14-6-2-1-3-7-14/h1-10,15,21H,11-12H2.
What are the key properties of N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide?
N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide has a molecular weight of 384.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide is sourced from PubChem (CID 75476237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).