5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole

C17H18N4O5S — CID 91905431

IUPAC5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(OC3CN(S(=O)(=O)c4c(C)noc4C)C3)cc2)n1
InChIInChI=1S/C17H18N4O5S/c1-10-16(11(2)25-19-10)27(22,23)21-8-15(9-21)24-14-6-4-13(5-7-14)17-18-12(3)20-26-17/h4-7,15H,8-9H2,1-3H3
InChIKeyJRXXCJKBLVNKFO-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.10
Rot. Bonds5

About 5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole

5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 91905431) has the molecular formula C17H18N4O5S and a molecular weight of 390.42 g/mol. Its IUPAC name is 5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole
PubChem CID91905431
Molecular FormulaC17H18N4O5S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC Name5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(OC3CN(S(=O)(=O)c4c(C)noc4C)C3)cc2)n1
InChIInChI=1S/C17H18N4O5S/c1-10-16(11(2)25-19-10)27(22,23)21-8-15(9-21)24-14-6-4-13(5-7-14)17-18-12(3)20-26-17/h4-7,15H,8-9H2,1-3H3
InChIKeyJRXXCJKBLVNKFO-UHFFFAOYSA-N
XLogP2.10
TPSA111.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-5-[4-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxyphenyl]-1,2,4-oxadiazole
CID 91905427
N,N-diethyl-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide
CID 91915171
3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide
CID 91915170
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-amine
CID 65245066
(2-methoxyphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
CID 91905450
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(4-methoxyphenyl)morpholine
CID 110327282
3,5-dimethyl-4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 100629745
4-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 122259149
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidine-3-carboxylic acid
CID 62707263
3,5-dimethyl-4-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]sulfonyl-1,2-oxazole
CID 100643933
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide
CID 171142177
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 17478178

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole (CID 91905431) is 5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2ccc(OC3CN(S(=O)(=O)c4c(C)noc4C)C3)cc2)n1.
What is the InChIKey of 5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is JRXXCJKBLVNKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5S/c1-10-16(11(2)25-19-10)27(22,23)21-8-15(9-21)24-14-6-4-13(5-7-14)17-18-12(3)20-26-17/h4-7,15H,8-9H2,1-3H3.
What are the key properties of 5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole?
5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 390.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]oxyphenyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 91905431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).