4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine

C19H23FN6O3 — CID 155911936

IUPAC4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
SMILESCOCCn1nnc(C2CN(Cc3nc(-c4ccccc4F)oc3C)CCO2)n1
InChIInChI=1S/C19H23FN6O3/c1-13-16(21-19(29-13)14-5-3-4-6-15(14)20)11-25-7-10-28-17(12-25)18-22-24-26(23-18)8-9-27-2/h3-6,17H,7-12H2,1-2H3
InChIKeyJECHRTXGXAFKCH-UHFFFAOYSA-N
MW402.43 g/mol
LogP2.00
Rot. Bonds7

About 4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine

4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine (PubChem CID 155911936) has the molecular formula C19H23FN6O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
PubChem CID155911936
Molecular FormulaC19H23FN6O3
Molecular Weight402.43 g/mol
Exact Mass402.18
IUPAC Name4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
SMILESCOCCn1nnc(C2CN(Cc3nc(-c4ccccc4F)oc3C)CCO2)n1
InChIInChI=1S/C19H23FN6O3/c1-13-16(21-19(29-13)14-5-3-4-6-15(14)20)11-25-7-10-28-17(12-25)18-22-24-26(23-18)8-9-27-2/h3-6,17H,7-12H2,1-2H3
InChIKeyJECHRTXGXAFKCH-UHFFFAOYSA-N
XLogP2.00
TPSA91.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine
CID 155503021
2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 155914582
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 155503723
2-[[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine
CID 155916042
(2R)-2-ethyl-4-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholine
CID 95550186
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone
CID 110354437
4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 155509505
2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-(4-methoxyphenyl)sulfonylmorpholine
CID 155507407
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 155493815
(2R)-4-(2-methoxyethyl)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344588
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 155500127
7-chloro-4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 42191614

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
The IUPAC name of 4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine (CID 155911936) is 4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine.
What is the SMILES notation for 4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
The canonical SMILES for 4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine is COCCn1nnc(C2CN(Cc3nc(-c4ccccc4F)oc3C)CCO2)n1.
What is the InChIKey of 4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
The InChIKey is JECHRTXGXAFKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O3/c1-13-16(21-19(29-13)14-5-3-4-6-15(14)20)11-25-7-10-28-17(12-25)18-22-24-26(23-18)8-9-27-2/h3-6,17H,7-12H2,1-2H3.
What are the key properties of 4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine has a molecular weight of 402.43 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine is sourced from PubChem (CID 155911936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).