[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

C19H18FN5O2 — CID 56877268

IUPAC[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1nn[nH]n1)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C19H18FN5O2/c20-14-5-3-4-13(10-14)11-15-12-25(8-9-27-15)19(26)17-7-2-1-6-16(17)18-21-23-24-22-18/h1-7,10,15H,8-9,11-12H2,(H,21,22,23,24)
InChIKeyWGEBYRAOEBRRHC-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.09
Rot. Bonds4

About [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (PubChem CID 56877268) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
PubChem CID56877268
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1nn[nH]n1)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C19H18FN5O2/c20-14-5-3-4-13(10-14)11-15-12-25(8-9-27-15)19(26)17-7-2-1-6-16(17)18-21-23-24-22-18/h1-7,10,15H,8-9,11-12H2,(H,21,22,23,24)
InChIKeyWGEBYRAOEBRRHC-UHFFFAOYSA-N
XLogP2.09
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-methoxyethanone
CID 124952778
(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45238113
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 95729983
[5-[(dimethylamino)methyl]furan-2-yl]-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 25451208
4-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-N,N-dimethyl-4-oxobutanamide
CID 45206506
4-bromo-2-[(3-fluorophenyl)methyl]morpholine
CID 172689726
1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 95555442
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
(2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 45217332
[2-(dimethylamino)phenyl]-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 25283547
[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90313535

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The IUPAC name of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (CID 56877268) is [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is O=C(c1ccccc1-c1nn[nH]n1)N1CCOC(Cc2cccc(F)c2)C1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The InChIKey is WGEBYRAOEBRRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-14-5-3-4-13(10-14)11-15-12-25(8-9-27-15)19(26)17-7-2-1-6-16(17)18-21-23-24-22-18/h1-7,10,15H,8-9,11-12H2,(H,21,22,23,24).
What are the key properties of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone has a molecular weight of 367.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 56877268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).