3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide

C21H20N4O3 — CID 99814935

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide (PubChem CID 99814935) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide
• PubChem CID: 99814935
• Molecular Formula: C21H20N4O3
• Molecular Weight: 376.42 g/mol
• Exact Mass: 376.15
• IUPAC Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide
• SMILES: Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N(C)c1cn[nH]c1
• InChI: InChI=1S/C21H20N4O3/c1-13-19(14(2)28-24-13)12-27-20-9-16-7-5-4-6-15(16)8-18(20)21(26)25(3)17-10-22-23-11-17/h4-11H,12H2,1-3H3,(H,22,23)
• InChIKey: VRTCJVANPYOAST-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 84.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.42
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide?

The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide (CID 99814935) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide.

What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide?

The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide is Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N(C)c1cn[nH]c1.

What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide?

The InChIKey is VRTCJVANPYOAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-19(14(2)28-24-13)12-27-20-9-16-7-5-4-6-15(16)8-18(20)21(26)25(3)17-10-22-23-11-17/h4-11H,12H2,1-3H3,(H,22,23).

What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide?

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1H-pyrazol-4-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 99814935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).