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

C18H18ClN5O — CID 648488

IUPAC4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine
SMILESClc1ccc(Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C18H18ClN5O/c19-16-5-1-14(2-6-16)13-24-21-18(20-22-24)15-3-7-17(8-4-15)23-9-11-25-12-10-23/h1-8H,9-13H2
InChIKeyGUFVTONEWFXGEV-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.88
Rot. Bonds4

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

4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine (PubChem CID 648488) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine
PubChem CID648488
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine
SMILESClc1ccc(Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=1S/C18H18ClN5O/c19-16-5-1-14(2-6-16)13-24-21-18(20-22-24)15-3-7-17(8-4-15)23-9-11-25-12-10-23/h1-8H,9-13H2
InChIKeyGUFVTONEWFXGEV-UHFFFAOYSA-N
XLogP2.88
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.88
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]morpholine?
The IUPAC name of 4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine (CID 648488) is 4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine is Clc1ccc(Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1.
What is the InChIKey of 4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine?
The InChIKey is GUFVTONEWFXGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-16-5-1-14(2-6-16)13-24-21-18(20-22-24)15-3-7-17(8-4-15)23-9-11-25-12-10-23/h1-8H,9-13H2.
What are the key properties of 4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine?
4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine has a molecular weight of 355.83 g/mol, XLogP of 2.88, 4 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]morpholine is sourced from PubChem (CID 648488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).