2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole

C19H24N4O2 — CID 95139617

IUPAC2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole
SMILESCCCc1noc([C@@H](C)N2CCC(c3nc4ccccc4o3)CC2)n1
InChIInChI=1S/C19H24N4O2/c1-3-6-17-21-18(25-22-17)13(2)23-11-9-14(10-12-23)19-20-15-7-4-5-8-16(15)24-19/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3/t13-/m1/s1
InChIKeyFJBBZOLBNSXAGW-CYBMUJFWSA-N
MW340.43 g/mol
LogP4.10
Rot. Bonds5

About 2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole

2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole (PubChem CID 95139617) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole
PubChem CID95139617
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole
SMILESCCCc1noc([C@@H](C)N2CCC(c3nc4ccccc4o3)CC2)n1
InChIInChI=1S/C19H24N4O2/c1-3-6-17-21-18(25-22-17)13(2)23-11-9-14(10-12-23)19-20-15-7-4-5-8-16(15)24-19/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3/t13-/m1/s1
InChIKeyFJBBZOLBNSXAGW-CYBMUJFWSA-N
XLogP4.10
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole with MolForge

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Related Compounds

2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole
CID 97019007
1-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000693
[1-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 51080710
(2R)-2-phenyl-4-[(1S)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 94806550
5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 75805432
4-(1,3-benzoxazol-2-yl)-N-ethylpiperidine-1-carbothioamide
CID 43815862
2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole
CID 139000191
5-[(1R)-1-(4-ethylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-oxadiazole
CID 94000629
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 55432612
3-propyl-5-[(1S)-1-(4-propylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95285928
2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole
CID 17462415
4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole (CID 95139617) is 2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole is CCCc1noc([C@@H](C)N2CCC(c3nc4ccccc4o3)CC2)n1.
What is the InChIKey of 2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole?
The InChIKey is FJBBZOLBNSXAGW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-6-17-21-18(25-22-17)13(2)23-11-9-14(10-12-23)19-20-15-7-4-5-8-16(15)24-19/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole?
2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole has a molecular weight of 340.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 95139617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).