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

C19H24N4O2 — CID 97019007

IUPAC2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole
SMILESCC(C)c1noc([C@H](C)N2CCC(c3nc4ccccc4o3)CC2)n1
InChIInChI=1S/C19H24N4O2/c1-12(2)17-21-18(25-22-17)13(3)23-10-8-14(9-11-23)19-20-15-6-4-5-7-16(15)24-19/h4-7,12-14H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyGEXXKUVNEVDXMB-ZDUSSCGKSA-N
MW340.43 g/mol
LogP4.27
Rot. Bonds4

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

2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole (PubChem CID 97019007) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole
PubChem CID97019007
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole
SMILESCC(C)c1noc([C@H](C)N2CCC(c3nc4ccccc4o3)CC2)n1
InChIInChI=1S/C19H24N4O2/c1-12(2)17-21-18(25-22-17)13(3)23-10-8-14(9-11-23)19-20-15-6-4-5-7-16(15)24-19/h4-7,12-14H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyGEXXKUVNEVDXMB-ZDUSSCGKSA-N
XLogP4.27
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole
CID 95139617
1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000707
2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 95280329
5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 30741315
2-[1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethyl]-1,3-benzoxazole
CID 139000191
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 55432612
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide
CID 55525539
2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole
CID 17462415
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
CID 128993450
2-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanoic acid
CID 21008031
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-bromobutan-1-one
CID 62856831
4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine
CID 94412485

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole (CID 97019007) is 2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole is CC(C)c1noc([C@H](C)N2CCC(c3nc4ccccc4o3)CC2)n1.
What is the InChIKey of 2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole?
The InChIKey is GEXXKUVNEVDXMB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(2)17-21-18(25-22-17)13(3)23-10-8-14(9-11-23)19-20-15-6-4-5-7-16(15)24-19/h4-7,12-14H,8-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole?
2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole has a molecular weight of 340.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 97019007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).