(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine

C18H18N4O2 — CID 92575825

IUPAC(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine
SMILESc1ccc(-c2noc([C@H]3CN(Cc4cccnc4)CCO3)n2)cc1
InChIInChI=1S/C18H18N4O2/c1-2-6-15(7-3-1)17-20-18(24-21-17)16-13-22(9-10-23-16)12-14-5-4-8-19-11-14/h1-8,11,16H,9-10,12-13H2/t16-/m1/s1
InChIKeyLXMGBVMJRLYKCO-MRXNPFEDSA-N
MW322.37 g/mol
LogP2.71
Rot. Bonds4

About (2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine

(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine (PubChem CID 92575825) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine
PubChem CID92575825
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine
SMILESc1ccc(-c2noc([C@H]3CN(Cc4cccnc4)CCO3)n2)cc1
InChIInChI=1S/C18H18N4O2/c1-2-6-15(7-3-1)17-20-18(24-21-17)16-13-22(9-10-23-16)12-14-5-4-8-19-11-14/h1-8,11,16H,9-10,12-13H2/t16-/m1/s1
InChIKeyLXMGBVMJRLYKCO-MRXNPFEDSA-N
XLogP2.71
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 46956712
4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 46956717
(2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575817
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849653
3-(4-methylphenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95830116
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849658
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 87053047
1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865042
3-phenyl-5-[[(1S,5R)-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,2,4-oxadiazole
CID 72941255
N-methyl-1-[4-(pyridin-3-ylmethyl)morpholin-2-yl]methanamine
CID 80502656
(2R)-4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholine
CID 125008958

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine?
The IUPAC name of (2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine (CID 92575825) is (2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine.
What is the SMILES notation for (2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine?
The canonical SMILES for (2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine is c1ccc(-c2noc([C@H]3CN(Cc4cccnc4)CCO3)n2)cc1.
What is the InChIKey of (2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine?
The InChIKey is LXMGBVMJRLYKCO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-6-15(7-3-1)17-20-18(24-21-17)16-13-22(9-10-23-16)12-14-5-4-8-19-11-14/h1-8,11,16H,9-10,12-13H2/t16-/m1/s1.
What are the key properties of (2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine?
(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine has a molecular weight of 322.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine is sourced from PubChem (CID 92575825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).