formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide

C18H23N3O4 — CID 154908958

About formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide

formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide (PubChem CID 154908958) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide
• PubChem CID: 154908958
• Molecular Formula: C18H23N3O4
• Molecular Weight: 345.40 g/mol
• Exact Mass: 345.17
• IUPAC Name: formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide
• SMILES: Cc1nc(C)c(C(=O)N(C)Cc2ccc3c(c2)CN(C)C3)o1.O=CO
• InChI: InChI=1S/C17H21N3O2.CH2O2/c1-11-16(22-12(2)18-11)17(21)20(4)8-13-5-6-14-9-19(3)10-15(14)7-13;2-1-3/h5-7H,8-10H2,1-4H3;1H,(H,2,3)
• InChIKey: WXQMQPJYRWRYMH-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 86.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.40
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide?

The IUPAC name of formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide (CID 154908958) is formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide.

What is the SMILES notation for formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide?

The canonical SMILES for formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)N(C)Cc2ccc3c(c2)CN(C)C3)o1.O=CO.

What is the InChIKey of formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide?

The InChIKey is WXQMQPJYRWRYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.CH2O2/c1-11-16(22-12(2)18-11)17(21)20(4)8-13-5-6-14-9-19(3)10-15(14)7-13;2-1-3/h5-7H,8-10H2,1-4H3;1H,(H,2,3).

What are the key properties of formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide?

formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;N,2,4-trimethyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 154908958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).