5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole

C20H25N5O — CID 99945566

IUPAC5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc2ccccc2nc1CN1CCC[C@@H](c2nc(C(C)C)no2)C1
InChIInChI=1S/C20H25N5O/c1-13(2)19-23-20(26-24-19)15-7-6-10-25(11-15)12-18-14(3)21-16-8-4-5-9-17(16)22-18/h4-5,8-9,13,15H,6-7,10-12H2,1-3H3/t15-/m1/s1
InChIKeyGUQBIINTTJIEJX-OAHLLOKOSA-N
MW351.45 g/mol
LogP3.82
Rot. Bonds4

About 5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 99945566) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID99945566
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc2ccccc2nc1CN1CCC[C@@H](c2nc(C(C)C)no2)C1
InChIInChI=1S/C20H25N5O/c1-13(2)19-23-20(26-24-19)15-7-6-10-25(11-15)12-18-14(3)21-16-8-4-5-9-17(16)22-18/h4-5,8-9,13,15H,6-7,10-12H2,1-3H3/t15-/m1/s1
InChIKeyGUQBIINTTJIEJX-OAHLLOKOSA-N
XLogP3.82
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

(3R)-N-(1,3-benzoxazol-2-ylmethyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 126423573
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 56686165
5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60565067
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 42960378
5-[(1-propan-2-ylindol-3-yl)methyl]-9-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecan-2-one
CID 110200366
2-methyl-3-[[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methyl]quinoxaline
CID 56703574
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 50973299
2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95143538
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 95124791
2-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136755534
3-methyl-5-[(3S)-1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 94571823
1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56885682

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 99945566) is 5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1nc2ccccc2nc1CN1CCC[C@@H](c2nc(C(C)C)no2)C1.
What is the InChIKey of 5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is GUQBIINTTJIEJX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N5O/c1-13(2)19-23-20(26-24-19)15-7-6-10-25(11-15)12-18-14(3)21-16-8-4-5-9-17(16)22-18/h4-5,8-9,13,15H,6-7,10-12H2,1-3H3/t15-/m1/s1.
What are the key properties of 5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 351.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 99945566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).