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

C17H21N7O3 — CID 155914582

IUPAC2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESCOCCn1nnc(C2CN(Cc3nc(-c4ccccc4)no3)CCO2)n1
InChIInChI=1S/C17H21N7O3/c1-25-9-8-24-20-17(19-22-24)14-11-23(7-10-26-14)12-15-18-16(21-27-15)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyYVCBQOHHDVECAN-UHFFFAOYSA-N
MW371.40 g/mol
LogP0.94
Rot. Bonds7

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

2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine (PubChem CID 155914582) has the molecular formula C17H21N7O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
PubChem CID155914582
Molecular FormulaC17H21N7O3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Name2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESCOCCn1nnc(C2CN(Cc3nc(-c4ccccc4)no3)CCO2)n1
InChIInChI=1S/C17H21N7O3/c1-25-9-8-24-20-17(19-22-24)14-11-23(7-10-26-14)12-15-18-16(21-27-15)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyYVCBQOHHDVECAN-UHFFFAOYSA-N
XLogP0.94
TPSA104.22 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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
2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[[2-(2-methoxyphenyl)pyrimidin-5-yl]methyl]morpholine
CID 155503021
4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methyltetrazol-5-yl)morpholine
CID 163306571
4-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 155911936
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 155500127
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95136032
(2R)-4-(2-methoxyethyl)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344588
(2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine
CID 95323433
(2R)-4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine
CID 33026890
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 155493815
(2R)-4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine
CID 33026906

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The IUPAC name of 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine (CID 155914582) is 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine.
What is the SMILES notation for 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The canonical SMILES for 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine is COCCn1nnc(C2CN(Cc3nc(-c4ccccc4)no3)CCO2)n1.
What is the InChIKey of 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The InChIKey is YVCBQOHHDVECAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O3/c1-25-9-8-24-20-17(19-22-24)14-11-23(7-10-26-14)12-15-18-16(21-27-15)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3.
What are the key properties of 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine has a molecular weight of 371.40 g/mol, XLogP of 0.94, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 155914582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).