(3R)-N-(2-methoxyethyl)-4-methyl-3-[2-(1,2-oxazol-5-ylmethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide

C19H24N4O5 — CID 95548818

About (3R)-N-(2-methoxyethyl)-4-methyl-3-[2-(1,2-oxazol-5-ylmethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide

(3R)-N-(2-methoxyethyl)-4-methyl-3-[2-(1,2-oxazol-5-ylmethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide (PubChem CID 95548818) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is (3R)-N-(2-methoxyethyl)-4-methyl-3-[2-(1,2-oxazol-5-ylmethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(2-methoxyethyl)-4-methyl-3-[2-(1,2-oxazol-5-ylmethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
• PubChem CID: 95548818
• Molecular Formula: C19H24N4O5
• Molecular Weight: 388.42 g/mol
• Exact Mass: 388.17
• IUPAC Name: (3R)-N-(2-methoxyethyl)-4-methyl-3-[2-(1,2-oxazol-5-ylmethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
• SMILES: COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1ccno1)CO2
• InChI: InChI=1S/C19H24N4O5/c1-23-14(10-18(24)21-11-15-5-6-22-28-15)12-27-17-4-3-13(9-16(17)23)19(25)20-7-8-26-2/h3-6,9,14H,7-8,10-12H2,1-2H3,(H,20,25)(H,21,24)/t14-/m1/s1
• InChIKey: UBQZZSDSFYBEOS-CQSZACIVSA-N
• XLogP: 0.95
• TPSA: 105.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.42
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methoxyethyl)-4-methyl-3-[2-(1,2-oxazol-5-ylmethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?

The IUPAC name of (3R)-N-(2-methoxyethyl)-4-methyl-3-[2-(1,2-oxazol-5-ylmethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide (CID 95548818) is (3R)-N-(2-methoxyethyl)-4-methyl-3-[2-(1,2-oxazol-5-ylmethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide.

What is the SMILES notation for (3R)-N-(2-methoxyethyl)-4-methyl-3-[2-(1,2-oxazol-5-ylmethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?

The canonical SMILES for (3R)-N-(2-methoxyethyl)-4-methyl-3-[2-(1,2-oxazol-5-ylmethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide is COCCNC(=O)c1ccc2c(c1)N(C)[C@H](CC(=O)NCc1ccno1)CO2.

What is the InChIKey of (3R)-N-(2-methoxyethyl)-4-methyl-3-[2-(1,2-oxazol-5-ylmethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?

The InChIKey is UBQZZSDSFYBEOS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-23-14(10-18(24)21-11-15-5-6-22-28-15)12-27-17-4-3-13(9-16(17)23)19(25)20-7-8-26-2/h3-6,9,14H,7-8,10-12H2,1-2H3,(H,20,25)(H,21,24)/t14-/m1/s1.

What are the key properties of (3R)-N-(2-methoxyethyl)-4-methyl-3-[2-(1,2-oxazol-5-ylmethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?

(3R)-N-(2-methoxyethyl)-4-methyl-3-[2-(1,2-oxazol-5-ylmethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(2-methoxyethyl)-4-methyl-3-[2-(1,2-oxazol-5-ylmethylamino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 95548818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).