(6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

C25H29N3O3 — CID 125126190

About (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

(6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (PubChem CID 125126190) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

Molecular Properties

• Compound Name: (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
• PubChem CID: 125126190
• Molecular Formula: C25H29N3O3
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.22
• IUPAC Name: (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
• SMILES: COc1ccc([C@H]2Cn3cnc(C(=O)N[C@H](C)c4ccc(C(C)C)cc4)c3CO2)cc1
• InChI: InChI=1S/C25H29N3O3/c1-16(2)18-5-7-19(8-6-18)17(3)27-25(29)24-22-14-31-23(13-28(22)15-26-24)20-9-11-21(30-4)12-10-20/h5-12,15-17,23H,13-14H2,1-4H3,(H,27,29)/t17-,23-/m1/s1
• InChIKey: DHQNIQWLHMNHHK-UZUQRXQVSA-N
• XLogP: 4.78
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

The IUPAC name of (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (CID 125126190) is (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

What is the SMILES notation for (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

The canonical SMILES for (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is COc1ccc([C@H]2Cn3cnc(C(=O)N[C@H](C)c4ccc(C(C)C)cc4)c3CO2)cc1.

What is the InChIKey of (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

The InChIKey is DHQNIQWLHMNHHK-UZUQRXQVSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-16(2)18-5-7-19(8-6-18)17(3)27-25(29)24-22-14-31-23(13-28(22)15-26-24)20-9-11-21(30-4)12-10-20/h5-12,15-17,23H,13-14H2,1-4H3,(H,27,29)/t17-,23-/m1/s1.

What are the key properties of (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?

(6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-(4-methoxyphenyl)-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is sourced from PubChem (CID 125126190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).