5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole

C22H23N5O — CID 70742332

IUPAC5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole
SMILESCc1ccc2oc(N3CCC(Cc4nncn4-c4ccccc4)CC3)nc2c1
InChIInChI=1S/C22H23N5O/c1-16-7-8-20-19(13-16)24-22(28-20)26-11-9-17(10-12-26)14-21-25-23-15-27(21)18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14H2,1H3
InChIKeyNUEOUZTZIKIDIK-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.18
Rot. Bonds4

About 5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole

5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole (PubChem CID 70742332) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole
PubChem CID70742332
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole
SMILESCc1ccc2oc(N3CCC(Cc4nncn4-c4ccccc4)CC3)nc2c1
InChIInChI=1S/C22H23N5O/c1-16-7-8-20-19(13-16)24-22(28-20)26-11-9-17(10-12-26)14-21-25-23-15-27(21)18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14H2,1H3
InChIKeyNUEOUZTZIKIDIK-UHFFFAOYSA-N
XLogP4.18
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole with MolForge

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Related Compounds

2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole
CID 127323044
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 101403141
2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890054
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide
CID 121109401
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
CID 62371883
2-amino-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119879906
1-(5-methyl-1,3-benzoxazol-2-yl)pyrrolidine-3,4-dicarboxamide
CID 126836087
[1-(5-nitro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanamine
CID 71644867
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120800151
5-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,3-benzoxazole
CID 91643350
4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine
CID 70749239

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole?
The IUPAC name of 5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole (CID 70742332) is 5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole is Cc1ccc2oc(N3CCC(Cc4nncn4-c4ccccc4)CC3)nc2c1.
What is the InChIKey of 5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole?
The InChIKey is NUEOUZTZIKIDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16-7-8-20-19(13-16)24-22(28-20)26-11-9-17(10-12-26)14-21-25-23-15-27(21)18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14H2,1H3.
What are the key properties of 5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole?
5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole has a molecular weight of 373.46 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 70742332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).