(2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine

C18H19N3O3 — CID 95182210

IUPAC(2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine
SMILESC[C@H]1CO[C@@H](c2ccccc2)CN1Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C18H19N3O3/c1-13-12-23-16(14-6-3-2-4-7-14)10-21(13)11-17-19-20-18(24-17)15-8-5-9-22-15/h2-9,13,16H,10-12H2,1H3/t13-,16+/m0/s1
InChIKeyVPTLRLXXMBETPI-XJKSGUPXSA-N
MW325.37 g/mol
LogP3.29
Rot. Bonds4

About (2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine

(2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine (PubChem CID 95182210) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name(2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine
PubChem CID95182210
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine
SMILESC[C@H]1CO[C@@H](c2ccccc2)CN1Cc1nnc(-c2ccco2)o1
InChIInChI=1S/C18H19N3O3/c1-13-12-23-16(14-6-3-2-4-7-14)10-21(13)11-17-19-20-18(24-17)15-8-5-9-22-15/h2-9,13,16H,10-12H2,1H3/t13-,16+/m0/s1
InChIKeyVPTLRLXXMBETPI-XJKSGUPXSA-N
XLogP3.29
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5,5-dimethyl-2-phenylmorpholine
CID 95182237
2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892
(2S)-2-(1-ethylpyrazol-4-yl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 124622469
(3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 129448982
2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid
CID 125130227
2-(5-methyl-2-phenylmorpholin-4-yl)acetic acid
CID 119135239
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-(furan-2-yl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53497956
1-[(2S)-2-[(2S)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95307882
2-[[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 72902103
2-(furan-2-yl)-5-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 128989795
4-benzyl-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
CID 72904242

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine?
The IUPAC name of (2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine (CID 95182210) is (2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine.
What is the SMILES notation for (2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine?
The canonical SMILES for (2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine is C[C@H]1CO[C@@H](c2ccccc2)CN1Cc1nnc(-c2ccco2)o1.
What is the InChIKey of (2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine?
The InChIKey is VPTLRLXXMBETPI-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-12-23-16(14-6-3-2-4-7-14)10-21(13)11-17-19-20-18(24-17)15-8-5-9-22-15/h2-9,13,16H,10-12H2,1H3/t13-,16+/m0/s1.
What are the key properties of (2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine?
(2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine has a molecular weight of 325.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-2-phenylmorpholine is sourced from PubChem (CID 95182210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).