4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C19H22FN3O2S — CID 155986244

IUPAC4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(CCCN(Cc3nccs3)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2S/c20-15-2-4-16(5-3-15)23-14-19(25-13-18(23)24)6-1-9-22(10-7-19)12-17-21-8-11-26-17/h2-5,8,11H,1,6-7,9-10,12-14H2
InChIKeyDOXCEYFEDCRUPZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.07
Rot. Bonds3

About 4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 155986244) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID155986244
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(CCCN(Cc3nccs3)CC2)CN1c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2S/c20-15-2-4-16(5-3-15)23-14-19(25-13-18(23)24)6-1-9-22(10-7-19)12-17-21-8-11-26-17/h2-5,8,11H,1,6-7,9-10,12-14H2
InChIKeyDOXCEYFEDCRUPZ-UHFFFAOYSA-N
XLogP3.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-10-(1,3-thiazol-5-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986247
4-(4-fluorophenyl)-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985854
4-(1-methylpyrazol-4-yl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743868
9-[(4-fluorophenyl)methyl]-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97372532
10-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986308
9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97392222
4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986230
4-(4-fluorophenyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562454
1-[(4-fluorophenyl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681081
4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155999673
4-phenyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97372508
4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155984314

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 155986244) is 4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is O=C1COC2(CCCN(Cc3nccs3)CC2)CN1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is DOXCEYFEDCRUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c20-15-2-4-16(5-3-15)23-14-19(25-13-18(23)24)6-1-9-22(10-7-19)12-17-21-8-11-26-17/h2-5,8,11H,1,6-7,9-10,12-14H2.
What are the key properties of 4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 375.47 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-10-(1,3-thiazol-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 155986244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).