formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide

C19H28N6O5 — CID 171339603

About formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide

formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 171339603) has the molecular formula C19H28N6O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide
• PubChem CID: 171339603
• Molecular Formula: C19H28N6O5
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.21
• IUPAC Name: formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide
• SMILES: Cc1cn(CCNC(=O)C2CCC(NC(=O)Cc3cc(C)no3)CC2)nn1.O=CO
• InChI: InChI=1S/C18H26N6O3.CH2O2/c1-12-9-16(27-22-12)10-17(25)20-15-5-3-14(4-6-15)18(26)19-7-8-24-11-13(2)21-23-24;2-1-3/h9,11,14-15H,3-8,10H2,1-2H3,(H,19,26)(H,20,25);1H,(H,2,3)
• InChIKey: LMROPOJNYOVHEX-UHFFFAOYSA-N
• XLogP: 0.62
• TPSA: 152.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	0.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide?

The IUPAC name of formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide (CID 171339603) is formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide.

What is the SMILES notation for formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide?

The canonical SMILES for formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide is Cc1cn(CCNC(=O)C2CCC(NC(=O)Cc3cc(C)no3)CC2)nn1.O=CO.

What is the InChIKey of formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide?

The InChIKey is LMROPOJNYOVHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3.CH2O2/c1-12-9-16(27-22-12)10-17(25)20-15-5-3-14(4-6-15)18(26)19-7-8-24-11-13(2)21-23-24;2-1-3/h9,11,14-15H,3-8,10H2,1-2H3,(H,19,26)(H,20,25);1H,(H,2,3).

What are the key properties of formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide?

formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-N-[2-(4-methyltriazol-1-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 171339603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).