(2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine

C14H16ClN3O2 — CID 97343748

IUPAC(2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
SMILESCN1CCO[C@@H](c2noc(Cc3ccccc3Cl)n2)C1
InChIInChI=1S/C14H16ClN3O2/c1-18-6-7-19-12(9-18)14-16-13(20-17-14)8-10-4-2-3-5-11(10)15/h2-5,12H,6-9H2,1H3/t12-/m1/s1
InChIKeyUGNFEPOJUCQDOC-GFCCVEGCSA-N
MW293.75 g/mol
LogP2.32
Rot. Bonds3

About (2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine

(2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine (PubChem CID 97343748) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is (2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine.

Molecular Properties

Compound Name(2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
PubChem CID97343748
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name(2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
SMILESCN1CCO[C@@H](c2noc(Cc3ccccc3Cl)n2)C1
InChIInChI=1S/C14H16ClN3O2/c1-18-6-7-19-12(9-18)14-16-13(20-17-14)8-10-4-2-3-5-11(10)15/h2-5,12H,6-9H2,1H3/t12-/m1/s1
InChIKeyUGNFEPOJUCQDOC-GFCCVEGCSA-N
XLogP2.32
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 97343741
2-[2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273778
2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 79094042
2-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 79071831
5-[(2-chlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960648
2-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 79077939
3-methyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79085494
4-chloro-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79077142
(2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344782
2-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 82831065
1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 79071714
1-methoxy-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 79089489

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
The IUPAC name of (2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine (CID 97343748) is (2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine.
What is the SMILES notation for (2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
The canonical SMILES for (2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine is CN1CCO[C@@H](c2noc(Cc3ccccc3Cl)n2)C1.
What is the InChIKey of (2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
The InChIKey is UGNFEPOJUCQDOC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-18-6-7-19-12(9-18)14-16-13(20-17-14)8-10-4-2-3-5-11(10)15/h2-5,12H,6-9H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine?
(2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine has a molecular weight of 293.75 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-4-methylmorpholine is sourced from PubChem (CID 97343748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).