3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide

C27H29N3O4 — CID 40984777

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide (PubChem CID 40984777) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide
• PubChem CID: 40984777
• Molecular Formula: C27H29N3O4
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.22
• IUPAC Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide
• SMILES: Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NC[C@H](c1ccco1)N1CCCC1
• InChI: InChI=1S/C27H29N3O4/c1-18-23(19(2)34-29-18)17-33-26-15-21-9-4-3-8-20(21)14-22(26)27(31)28-16-24(25-10-7-13-32-25)30-11-5-6-12-30/h3-4,7-10,13-15,24H,5-6,11-12,16-17H2,1-2H3,(H,28,31)/t24-/m1/s1
• InChIKey: GYBMJMBEIPGQRW-XMMPIXPASA-N
• XLogP: 5.18
• TPSA: 80.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide?

The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide (CID 40984777) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide.

What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide?

The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide is Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NC[C@H](c1ccco1)N1CCCC1.

What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide?

The InChIKey is GYBMJMBEIPGQRW-XMMPIXPASA-N. The full InChI is InChI=1S/C27H29N3O4/c1-18-23(19(2)34-29-18)17-33-26-15-21-9-4-3-8-20(21)14-22(26)27(31)28-16-24(25-10-7-13-32-25)30-11-5-6-12-30/h3-4,7-10,13-15,24H,5-6,11-12,16-17H2,1-2H3,(H,28,31)/t24-/m1/s1.

What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide?

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 40984777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).