N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyrrole-1-carboxamide;methane

C26H33N9O4 — CID 162141117

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyrrole-1-carboxamide;methane

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyrrole-1-carboxamide;methane (PubChem CID 162141117) has the molecular formula C26H33N9O4 and a molecular weight of 535.61 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyrrole-1-carboxamide;methane.

Molecular Properties

• Compound Name: N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyrrole-1-carboxamide;methane
• PubChem CID: 162141117
• Molecular Formula: C26H33N9O4
• Molecular Weight: 535.61 g/mol
• Exact Mass: 535.27
• IUPAC Name: N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyrrole-1-carboxamide;methane
• SMILES: C.CC(=O)Nc1cnn(Cc2c(C)noc2C)c1.Cc1noc(C)c1Cn1cc(NC(=O)n2cccc2)cn1
• InChI: InChI=1S/C14H15N5O2.C11H14N4O2.CH4/c1-10-13(11(2)21-17-10)9-19-8-12(7-15-19)16-14(20)18-5-3-4-6-18;1-7-11(8(2)17-14-7)6-15-5-10(4-12-15)13-9(3)16;/h3-8H,9H2,1-2H3,(H,16,20);4-5H,6H2,1-3H3,(H,13,16);1H4
• InChIKey: ZJYAKBJTTNTWHY-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 150.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.61
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyrrole-1-carboxamide;methane?

The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyrrole-1-carboxamide;methane (CID 162141117) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyrrole-1-carboxamide;methane.

What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyrrole-1-carboxamide;methane?

The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyrrole-1-carboxamide;methane is C.CC(=O)Nc1cnn(Cc2c(C)noc2C)c1.Cc1noc(C)c1Cn1cc(NC(=O)n2cccc2)cn1.

What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyrrole-1-carboxamide;methane?

The InChIKey is ZJYAKBJTTNTWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2.C11H14N4O2.CH4/c1-10-13(11(2)21-17-10)9-19-8-12(7-15-19)16-14(20)18-5-3-4-6-18;1-7-11(8(2)17-14-7)6-15-5-10(4-12-15)13-9(3)16;/h3-8H,9H2,1-2H3,(H,16,20);4-5H,6H2,1-3H3,(H,13,16);1H4.

What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyrrole-1-carboxamide;methane?

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyrrole-1-carboxamide;methane has a molecular weight of 535.61 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]acetamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]pyrrole-1-carboxamide;methane is sourced from PubChem (CID 162141117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).