2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole

C24H28N6O — CID 56550712

IUPAC2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nnn(CCCCCN3CCC(c4nc5ccccc5o4)CC3)n2)cc1
InChIInChI=1S/C24H28N6O/c1-3-9-19(10-4-1)23-26-28-30(27-23)16-8-2-7-15-29-17-13-20(14-18-29)24-25-21-11-5-6-12-22(21)31-24/h1,3-6,9-12,20H,2,7-8,13-18H2
InChIKeyIDVZTBJIGOFQMT-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.53
Rot. Bonds8

About 2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole

2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole (PubChem CID 56550712) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole
PubChem CID56550712
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nnn(CCCCCN3CCC(c4nc5ccccc5o4)CC3)n2)cc1
InChIInChI=1S/C24H28N6O/c1-3-9-19(10-4-1)23-26-28-30(27-23)16-8-2-7-15-29-17-13-20(14-18-29)24-25-21-11-5-6-12-22(21)31-24/h1,3-6,9-12,20H,2,7-8,13-18H2
InChIKeyIDVZTBJIGOFQMT-UHFFFAOYSA-N
XLogP4.53
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 10316831
[(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone
CID 52525383
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 55354087
N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide
CID 56550592
N-(4-methyl-1,3-thiazol-2-yl)-1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidine-4-carboxamide
CID 56550241
N-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]thiophene-2-carboxamide
CID 56550664
3-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 9205096
2-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]-1,3-benzoxazole
CID 17462415
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 31186982
4-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 17409570
2-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]-1,3-benzoxazole
CID 55410754
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 21007916

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole (CID 56550712) is 2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole is c1ccc(-c2nnn(CCCCCN3CCC(c4nc5ccccc5o4)CC3)n2)cc1.
What is the InChIKey of 2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole?
The InChIKey is IDVZTBJIGOFQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-3-9-19(10-4-1)23-26-28-30(27-23)16-8-2-7-15-29-17-13-20(14-18-29)24-25-21-11-5-6-12-22(21)31-24/h1,3-6,9-12,20H,2,7-8,13-18H2.
What are the key properties of 2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole?
2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole has a molecular weight of 416.53 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 56550712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).