(5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione

C16H14FN3O3S — CID 94176311

IUPAC(5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N[C@]2(CCSC2)C(=O)N1Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H14FN3O3S/c17-11-3-1-10(2-4-11)12-7-18-13(23-12)8-20-14(21)16(19-15(20)22)5-6-24-9-16/h1-4,7H,5-6,8-9H2,(H,19,22)/t16-/m0/s1
InChIKeyYQSIDVXTCKINIP-INIZCTEOSA-N
MW347.37 g/mol
LogP2.41
Rot. Bonds3

About (5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione

(5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 94176311) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is (5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID94176311
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name(5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1N[C@]2(CCSC2)C(=O)N1Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H14FN3O3S/c17-11-3-1-10(2-4-11)12-7-18-13(23-12)8-20-14(21)16(19-15(20)22)5-6-24-9-16/h1-4,7H,5-6,8-9H2,(H,19,22)/t16-/m0/s1
InChIKeyYQSIDVXTCKINIP-INIZCTEOSA-N
XLogP2.41
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51250110
(5S)-2-[(5-phenyl-1,3-oxazol-2-yl)methyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 97056213
3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 128935954
(5R)-3-[(4-methylsulfanylphenyl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31276425
3-[2-(4-methylphenoxy)ethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 42979131
(5R)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 36537561
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43046583
(5S)-3-[(2-chlorophenyl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30479318
(5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30471857
(5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30668854
1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275
3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 46568858

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 94176311) is (5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1N[C@]2(CCSC2)C(=O)N1Cc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of (5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is YQSIDVXTCKINIP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c17-11-3-1-10(2-4-11)12-7-18-13(23-12)8-20-14(21)16(19-15(20)22)5-6-24-9-16/h1-4,7H,5-6,8-9H2,(H,19,22)/t16-/m0/s1.
What are the key properties of (5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 347.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 94176311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).