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

C14H16ClN3O2 — CID 97344327

IUPAC(3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCc1nc([C@@H]2COCCN2Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C14H16ClN3O2/c1-10-16-14(17-20-10)13-9-19-7-6-18(13)8-11-2-4-12(15)5-3-11/h2-5,13H,6-9H2,1H3/t13-/m0/s1
InChIKeyCIXXAWPKOFQYQQ-ZDUSSCGKSA-N
MW293.75 g/mol
LogP2.60
Rot. Bonds3

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

(3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 97344327) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is (3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name(3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID97344327
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name(3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCc1nc([C@@H]2COCCN2Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C14H16ClN3O2/c1-10-16-14(17-20-10)13-9-19-7-6-18(13)8-11-2-4-12(15)5-3-11/h2-5,13H,6-9H2,1H3/t13-/m0/s1
InChIKeyCIXXAWPKOFQYQQ-ZDUSSCGKSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylethyl)morpholine
CID 97344608
(3R)-4-[(2,5-dimethoxyphenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344323
4-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 130694254
(3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345982
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
CID 75474365
3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 97008764
N-propan-2-yl-2-[(3R)-4-(pyridin-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486608
(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine
CID 97344130
N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100002
N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 97484458
[4-[[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 126786163
3-fluoro-5-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenol
CID 99825863

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of (3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (CID 97344327) is (3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for (3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for (3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is Cc1nc([C@@H]2COCCN2Cc2ccc(Cl)cc2)no1.
What is the InChIKey of (3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is CIXXAWPKOFQYQQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-10-16-14(17-20-10)13-9-19-7-6-18(13)8-11-2-4-12(15)5-3-11/h2-5,13H,6-9H2,1H3/t13-/m0/s1.
What are the key properties of (3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
(3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 293.75 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(4-chlorophenyl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 97344327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).