(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone

C19H18FN5O2S — CID 25362490

IUPAC(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone
SMILESO=C([C@H](Sc1nnnn1-c1cccc(F)c1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H18FN5O2S/c20-15-7-4-8-16(13-15)25-19(21-22-23-25)28-17(14-5-2-1-3-6-14)18(26)24-9-11-27-12-10-24/h1-8,13,17H,9-12H2/t17-/m1/s1
InChIKeyJIAIGNBIBRXVDI-QGZVFWFLSA-N
MW399.45 g/mol
LogP2.49
Rot. Bonds5

About (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone

(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone (PubChem CID 25362490) has the molecular formula C19H18FN5O2S and a molecular weight of 399.45 g/mol. Its IUPAC name is (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone
PubChem CID25362490
Molecular FormulaC19H18FN5O2S
Molecular Weight399.45 g/mol
Exact Mass399.12
IUPAC Name(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone
SMILESO=C([C@H](Sc1nnnn1-c1cccc(F)c1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H18FN5O2S/c20-15-7-4-8-16(13-15)25-19(21-22-23-25)28-17(14-5-2-1-3-6-14)18(26)24-9-11-27-12-10-24/h1-8,13,17H,9-12H2/t17-/m1/s1
InChIKeyJIAIGNBIBRXVDI-QGZVFWFLSA-N
XLogP2.49
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-yl-2-phenylethanone
CID 9208040
(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 40794893
(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 7736862
(2R)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 40555263
2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenylethanone
CID 17443666
(2R)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 41083797
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylpropan-1-one
CID 46638582
(2S)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 40657342
N-cyclopropyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51202919
(2S)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 7704885
(2S)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone
CID 41242828
1,5-dimethyl-4-[5-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyltetrazol-1-yl]-2-phenylpyrazol-3-one
CID 42923545

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone (CID 25362490) is (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone is O=C([C@H](Sc1nnnn1-c1cccc(F)c1)c1ccccc1)N1CCOCC1.
What is the InChIKey of (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is JIAIGNBIBRXVDI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18FN5O2S/c20-15-7-4-8-16(13-15)25-19(21-22-23-25)28-17(14-5-2-1-3-6-14)18(26)24-9-11-27-12-10-24/h1-8,13,17H,9-12H2/t17-/m1/s1.
What are the key properties of (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone?
(2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone has a molecular weight of 399.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 25362490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).