(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine

C18H22ClN3O2 — CID 56775858

IUPAC(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine
SMILESClc1ccc(-c2cnc([C@@H]3COCCN3C3CCOCC3)[nH]2)cc1
InChIInChI=1S/C18H22ClN3O2/c19-14-3-1-13(2-4-14)16-11-20-18(21-16)17-12-24-10-7-22(17)15-5-8-23-9-6-15/h1-4,11,15,17H,5-10,12H2,(H,20,21)/t17-/m0/s1
InChIKeyUOXKRZSTEVKESR-KRWDZBQOSA-N
MW347.85 g/mol
LogP3.28
Rot. Bonds3

About (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine

(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine (PubChem CID 56775858) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine.

Molecular Properties

Compound Name(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine
PubChem CID56775858
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine
SMILESClc1ccc(-c2cnc([C@@H]3COCCN3C3CCOCC3)[nH]2)cc1
InChIInChI=1S/C18H22ClN3O2/c19-14-3-1-13(2-4-14)16-11-20-18(21-16)17-12-24-10-7-22(17)15-5-8-23-9-6-15/h1-4,11,15,17H,5-10,12H2,(H,20,21)/t17-/m0/s1
InChIKeyUOXKRZSTEVKESR-KRWDZBQOSA-N
XLogP3.28
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine?
The IUPAC name of (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine (CID 56775858) is (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine.
What is the SMILES notation for (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine?
The canonical SMILES for (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine is Clc1ccc(-c2cnc([C@@H]3COCCN3C3CCOCC3)[nH]2)cc1.
What is the InChIKey of (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine?
The InChIKey is UOXKRZSTEVKESR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c19-14-3-1-13(2-4-14)16-11-20-18(21-16)17-12-24-10-7-22(17)15-5-8-23-9-6-15/h1-4,11,15,17H,5-10,12H2,(H,20,21)/t17-/m0/s1.
What are the key properties of (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine?
(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine has a molecular weight of 347.85 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-(oxan-4-yl)morpholine is sourced from PubChem (CID 56775858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).