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

C19H23N5O — CID 53192308

IUPAC3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C19H23N5O/c1-13-17(14(2)25-23-13)12-24-10-8-16(9-11-24)19-20-18(21-22-19)15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,20,21,22)
InChIKeyKVMIWCDWFABEDM-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.46
Rot. Bonds4

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

3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 53192308) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID53192308
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C19H23N5O/c1-13-17(14(2)25-23-13)12-24-10-8-16(9-11-24)19-20-18(21-22-19)15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,20,21,22)
InChIKeyKVMIWCDWFABEDM-UHFFFAOYSA-N
XLogP3.46
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole (CID 53192308) is 3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of 3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is KVMIWCDWFABEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-17(14(2)25-23-13)12-24-10-8-16(9-11-24)19-20-18(21-22-19)15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,20,21,22).
What are the key properties of 3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 337.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 53192308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).