[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

C19H25N7O2 — CID 72905802

IUPAC[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(c3nnc(Cn4ccnc4)n3C)C2)on1
InChIInChI=1S/C19H25N7O2/c1-13(2)15-9-16(28-23-15)19(27)26-7-4-5-14(10-26)18-22-21-17(24(18)3)11-25-8-6-20-12-25/h6,8-9,12-14H,4-5,7,10-11H2,1-3H3
InChIKeySFJBRYHWJSGSSS-UHFFFAOYSA-N
MW383.46 g/mol
LogP2.19
Rot. Bonds5

About [3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 72905802) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is [3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
PubChem CID72905802
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(c3nnc(Cn4ccnc4)n3C)C2)on1
InChIInChI=1S/C19H25N7O2/c1-13(2)15-9-16(28-23-15)19(27)26-7-4-5-14(10-26)18-22-21-17(24(18)3)11-25-8-6-20-12-25/h6,8-9,12-14H,4-5,7,10-11H2,1-3H3
InChIKeySFJBRYHWJSGSSS-UHFFFAOYSA-N
XLogP2.19
TPSA94.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (CID 72905802) is [3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is CC(C)c1cc(C(=O)N2CCCC(c3nnc(Cn4ccnc4)n3C)C2)on1.
What is the InChIKey of [3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is SFJBRYHWJSGSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-13(2)15-9-16(28-23-15)19(27)26-7-4-5-14(10-26)18-22-21-17(24(18)3)11-25-8-6-20-12-25/h6,8-9,12-14H,4-5,7,10-11H2,1-3H3.
What are the key properties of [3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 383.46 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 72905802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).