5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine

C18H21N5O2 — CID 164641050

IUPAC5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1oc(-c2ccccc2)nc1CN1CCC[C@H](c2nnc(N)o2)C1
InChIInChI=1S/C18H21N5O2/c1-12-15(20-16(24-12)13-6-3-2-4-7-13)11-23-9-5-8-14(10-23)17-21-22-18(19)25-17/h2-4,6-7,14H,5,8-11H2,1H3,(H2,19,22)/t14-/m0/s1
InChIKeyWKLUDDGUZCJAAP-AWEZNQCLSA-N
MW339.40 g/mol
LogP2.99
Rot. Bonds4

About 5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine

5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 164641050) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine
PubChem CID164641050
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine
SMILESCc1oc(-c2ccccc2)nc1CN1CCC[C@H](c2nnc(N)o2)C1
InChIInChI=1S/C18H21N5O2/c1-12-15(20-16(24-12)13-6-3-2-4-7-13)11-23-9-5-8-14(10-23)17-21-22-18(19)25-17/h2-4,6-7,14H,5,8-11H2,1H3,(H2,19,22)/t14-/m0/s1
InChIKeyWKLUDDGUZCJAAP-AWEZNQCLSA-N
XLogP2.99
TPSA94.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 110883667
5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole
CID 45185948
2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849713
2-[(3S)-1-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
CID 28850812
5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine
CID 164634075
ethyl (3R)-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylate
CID 150258829
(3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95468992
2-(4-ethylphenyl)-5-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 163516668
(2S,6R)-2,6-dimethyl-4-[1-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]morpholine
CID 29124095
2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 45212654
(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 95868173
5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 52675581

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine (CID 164641050) is 5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine is Cc1oc(-c2ccccc2)nc1CN1CCC[C@H](c2nnc(N)o2)C1.
What is the InChIKey of 5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WKLUDDGUZCJAAP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-15(20-16(24-12)13-6-3-2-4-7-13)11-23-9-5-8-14(10-23)17-21-22-18(19)25-17/h2-4,6-7,14H,5,8-11H2,1H3,(H2,19,22)/t14-/m0/s1.
What are the key properties of 5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine?
5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 339.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 164641050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).