(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone

C20H24FN3O6S — CID 172884720

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCOC2(C1)CN(S(=O)(=O)c1ccccc1F)CCO2
InChIInChI=1S/C20H24FN3O6S/c1-14-18(15(2)30-22-14)19(25)23-8-5-10-28-20(12-23)13-24(9-11-29-20)31(26,27)17-7-4-3-6-16(17)21/h3-4,6-7H,5,8-13H2,1-2H3
InChIKeySAKCBUIXVGEDRQ-UHFFFAOYSA-N
MW453.49 g/mol
LogP1.71
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone (PubChem CID 172884720) has the molecular formula C20H24FN3O6S and a molecular weight of 453.49 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone
PubChem CID172884720
Molecular FormulaC20H24FN3O6S
Molecular Weight453.49 g/mol
Exact Mass453.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCOC2(C1)CN(S(=O)(=O)c1ccccc1F)CCO2
InChIInChI=1S/C20H24FN3O6S/c1-14-18(15(2)30-22-14)19(25)23-8-5-10-28-20(12-23)13-24(9-11-29-20)31(26,27)17-7-4-3-6-16(17)21/h3-4,6-7H,5,8-13H2,1-2H3
InChIKeySAKCBUIXVGEDRQ-UHFFFAOYSA-N
XLogP1.71
TPSA102.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone with MolForge

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Related Compounds

[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-(1,3-oxazol-5-yl)methanone
CID 172884734
cyclopropyl-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone
CID 172884724
1-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methoxyethanone
CID 172884520
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 4807276
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110646737
(2-methyl-1,3-thiazol-4-yl)-(4-pyridin-3-ylsulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)methanone
CID 172884491
1-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110252795
1-[(2S)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 92632425
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 27364501
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110646744
2-[2-(dimethylamino)ethyl]-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one
CID 131680937

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone (CID 172884720) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone is Cc1noc(C)c1C(=O)N1CCCOC2(C1)CN(S(=O)(=O)c1ccccc1F)CCO2.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone?
The InChIKey is SAKCBUIXVGEDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O6S/c1-14-18(15(2)30-22-14)19(25)23-8-5-10-28-20(12-23)13-24(9-11-29-20)31(26,27)17-7-4-3-6-16(17)21/h3-4,6-7H,5,8-13H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone has a molecular weight of 453.49 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-fluorophenyl)sulfonyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]methanone is sourced from PubChem (CID 172884720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).