3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one

C14H17N3O3 — CID 36697538

IUPAC3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESC[C@H]1CN(Cn2nc(-c3ccccc3)oc2=O)CCO1
InChIInChI=1S/C14H17N3O3/c1-11-9-16(7-8-19-11)10-17-14(18)20-13(15-17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/t11-/m0/s1
InChIKeyDJKJTPKITLORJC-NSHDSACASA-N
MW275.31 g/mol
LogP1.18
Rot. Bonds3

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

3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one (PubChem CID 36697538) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one
PubChem CID36697538
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESC[C@H]1CN(Cn2nc(-c3ccccc3)oc2=O)CCO1
InChIInChI=1S/C14H17N3O3/c1-11-9-16(7-8-19-11)10-17-14(18)20-13(15-17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/t11-/m0/s1
InChIKeyDJKJTPKITLORJC-NSHDSACASA-N
XLogP1.18
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42929876
3-[[(2R)-2-methylmorpholin-4-yl]methyl]-1,2,3-benzotriazin-4-one
CID 35899137
5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one
CID 134106929
2-[(2-methylmorpholin-4-yl)methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione
CID 17461908
3-butyl-5-phenyl-1,3,4-oxadiazol-2-one
CID 14816002
4-[2-hydroxy-3-(2-methylmorpholin-4-yl)propyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 111104453
3-[(4-methylphenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 3700631
3-[(2-methylpiperidin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazol-2-one
CID 45271651
3-methyl-2-[2-[(2R)-2-methylmorpholin-4-yl]ethylsulfanyl]quinazolin-4-one
CID 99825262
3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 95337351
2-methyl-4-(3-phenylprop-2-enyl)morpholine
CID 165349535
3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide
CID 51108219

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one (CID 36697538) is 3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one is C[C@H]1CN(Cn2nc(-c3ccccc3)oc2=O)CCO1.
What is the InChIKey of 3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The InChIKey is DJKJTPKITLORJC-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O3/c1-11-9-16(7-8-19-11)10-17-14(18)20-13(15-17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/t11-/m0/s1.
What are the key properties of 3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one?
3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one has a molecular weight of 275.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 36697538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).