4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine

C19H20ClN5O — CID 649087

IUPAC4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine
SMILESClc1ccc(Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C19H20ClN5O/c20-18-7-3-16(4-8-18)14-25-22-19(21-23-25)17-5-1-15(2-6-17)13-24-9-11-26-12-10-24/h1-8H,9-14H2
InChIKeyOAHNWTYZROPXDE-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.87
Rot. Bonds5

About 4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine

4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine (PubChem CID 649087) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine
PubChem CID649087
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine
SMILESClc1ccc(Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C19H20ClN5O/c20-18-7-3-16(4-8-18)14-25-22-19(21-23-25)17-5-1-15(2-6-17)13-24-9-11-26-12-10-24/h1-8H,9-14H2
InChIKeyOAHNWTYZROPXDE-UHFFFAOYSA-N
XLogP2.87
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine (CID 649087) is 4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine is Clc1ccc(Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)cc1.
What is the InChIKey of 4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine?
The InChIKey is OAHNWTYZROPXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c20-18-7-3-16(4-8-18)14-25-22-19(21-23-25)17-5-1-15(2-6-17)13-24-9-11-26-12-10-24/h1-8H,9-14H2.
What are the key properties of 4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine?
4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine has a molecular weight of 369.86 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 649087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).