2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone

C20H20FN5O3 — CID 1296610

IUPAC2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1)N1CCOCC1
InChIInChI=1S/C20H20FN5O3/c21-18-4-2-1-3-16(18)14-29-17-7-5-15(6-8-17)20-22-24-26(23-20)13-19(27)25-9-11-28-12-10-25/h1-8H,9-14H2
InChIKeyIZDPNXKWJCHKHJ-UHFFFAOYSA-N
MW397.41 g/mol
LogP1.92
Rot. Bonds6

About 2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone

2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone (PubChem CID 1296610) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone
PubChem CID1296610
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1)N1CCOCC1
InChIInChI=1S/C20H20FN5O3/c21-18-4-2-1-3-16(18)14-29-17-7-5-15(6-8-17)20-22-24-26(23-20)13-19(27)25-9-11-28-12-10-25/h1-8H,9-14H2
InChIKeyIZDPNXKWJCHKHJ-UHFFFAOYSA-N
XLogP1.92
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone (CID 1296610) is 2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone is O=C(Cn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1)N1CCOCC1.
What is the InChIKey of 2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is IZDPNXKWJCHKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c21-18-4-2-1-3-16(18)14-29-17-7-5-15(6-8-17)20-22-24-26(23-20)13-19(27)25-9-11-28-12-10-25/h1-8H,9-14H2.
What are the key properties of 2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone?
2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 397.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 1296610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).