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

C13H15N3O2 — CID 77152123

IUPAC2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine
SMILESCc1nc(-c2ccc(C3CNCCO3)cc2)no1
InChIInChI=1S/C13H15N3O2/c1-9-15-13(16-18-9)11-4-2-10(3-5-11)12-8-14-6-7-17-12/h2-5,12,14H,6-8H2,1H3
InChIKeyANHDHUQSGQAQNO-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.71
Rot. Bonds2

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

2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine (PubChem CID 77152123) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine.

Molecular Properties

Compound Name2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine
PubChem CID77152123
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine
SMILESCc1nc(-c2ccc(C3CNCCO3)cc2)no1
InChIInChI=1S/C13H15N3O2/c1-9-15-13(16-18-9)11-4-2-10(3-5-11)12-8-14-6-7-17-12/h2-5,12,14H,6-8H2,1H3
InChIKeyANHDHUQSGQAQNO-UHFFFAOYSA-N
XLogP1.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120833777
4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135991810
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
(2R)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120838766
(2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120838767
2-(3,4-dimethylphenyl)morpholine
CID 43169342
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
azane;2-phenylmorpholine
CID 174664757
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971809
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
(2R)-2-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120840650

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine?
The IUPAC name of 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine (CID 77152123) is 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine.
What is the SMILES notation for 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine?
The canonical SMILES for 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine is Cc1nc(-c2ccc(C3CNCCO3)cc2)no1.
What is the InChIKey of 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine?
The InChIKey is ANHDHUQSGQAQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-15-13(16-18-9)11-4-2-10(3-5-11)12-8-14-6-7-17-12/h2-5,12,14H,6-8H2,1H3.
What are the key properties of 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine?
2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine has a molecular weight of 245.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine is sourced from PubChem (CID 77152123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).