2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole

C17H24N4O — CID 126892246

IUPAC2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
SMILESCC(C)N1CCN(C2CN(c3nc4ccccc4o3)C2)CC1
InChIInChI=1S/C17H24N4O/c1-13(2)19-7-9-20(10-8-19)14-11-21(12-14)17-18-15-5-3-4-6-16(15)22-17/h3-6,13-14H,7-12H2,1-2H3
InChIKeyYHLNBDFXVCLHNI-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.04
Rot. Bonds3

About 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole

2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole (PubChem CID 126892246) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
PubChem CID126892246
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
SMILESCC(C)N1CCN(C2CN(c3nc4ccccc4o3)C2)CC1
InChIInChI=1S/C17H24N4O/c1-13(2)19-7-9-20(10-8-19)14-11-21(12-14)17-18-15-5-3-4-6-16(15)22-17/h3-6,13-14H,7-12H2,1-2H3
InChIKeyYHLNBDFXVCLHNI-UHFFFAOYSA-N
XLogP2.04
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
2-[4-(thian-4-yl)piperazin-1-yl]-1,3-benzoxazole
CID 91840493
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126892405
4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126892410
2-(4-benzhydrylpiperazin-1-yl)-1,3-benzoxazole
CID 24632071
2-(4-thiomorpholin-4-ylpiperidin-1-yl)-1,3-benzoxazole
CID 171328274
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
2-[4-[3-[(2S)-4-propan-2-ylmorpholin-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole
CID 97343791
5-fluoro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
CID 126893682
5-tert-butyl-2-(3-morpholin-4-ylazetidin-1-yl)-1,3-benzoxazole
CID 146044554
1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidine-3-carboxylic acid;dihydrochloride
CID 154895890

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole (CID 126892246) is 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole is CC(C)N1CCN(C2CN(c3nc4ccccc4o3)C2)CC1.
What is the InChIKey of 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole?
The InChIKey is YHLNBDFXVCLHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13(2)19-7-9-20(10-8-19)14-11-21(12-14)17-18-15-5-3-4-6-16(15)22-17/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole?
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole has a molecular weight of 300.41 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 126892246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).