2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole

C20H21ClN2O2 — CID 617954

IUPAC2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole
SMILESCC1CN(Cc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)CC(C)O1
InChIInChI=1S/C20H21ClN2O2/c1-13-10-23(11-14(2)24-13)12-15-3-8-19-18(9-15)22-20(25-19)16-4-6-17(21)7-5-16/h3-9,13-14H,10-12H2,1-2H3
InChIKeyJILOYGLIBOUBBD-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.76
Rot. Bonds3

About 2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole

2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole (PubChem CID 617954) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole
PubChem CID617954
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole
SMILESCC1CN(Cc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)CC(C)O1
InChIInChI=1S/C20H21ClN2O2/c1-13-10-23(11-14(2)24-13)12-15-3-8-19-18(9-15)22-20(25-19)16-4-6-17(21)7-5-16/h3-9,13-14H,10-12H2,1-2H3
InChIKeyJILOYGLIBOUBBD-UHFFFAOYSA-N
XLogP4.76
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,3-benzoxazole
CID 2825944
(2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
CID 31476823
2-(3-chlorophenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3-benzoxazole
CID 91682488
2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetic acid;methane
CID 66706315
5-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-2-(3-fluorophenyl)-1,3-benzoxazole
CID 99968239
2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 43665734
2-[4-(bromomethyl)phenyl]-5-chloro-1,3-benzoxazole
CID 14074210
2-(4-bromophenyl)-5-(1,4-diazepan-1-ylmethyl)-1,3-benzoxazole
CID 112719850
4-[5-(1,4-diazepan-1-ylmethyl)-1,3-benzoxazol-2-yl]aniline
CID 83949534
2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine
CID 104959118
azanium 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoate
CID 21149529
(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 103936707

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole (CID 617954) is 2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole is CC1CN(Cc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)CC(C)O1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole?
The InChIKey is JILOYGLIBOUBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13-10-23(11-14(2)24-13)12-15-3-8-19-18(9-15)22-20(25-19)16-4-6-17(21)7-5-16/h3-9,13-14H,10-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole?
2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole has a molecular weight of 356.85 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-benzoxazole is sourced from PubChem (CID 617954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).