(3R)-3-(3,5-difluorophenyl)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-1,2-oxazolidine-2-carboxamide

C26H21F4N5O3 — CID 170382547

About (3R)-3-(3,5-difluorophenyl)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-1,2-oxazolidine-2-carboxamide

(3R)-3-(3,5-difluorophenyl)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-1,2-oxazolidine-2-carboxamide (PubChem CID 170382547) has the molecular formula C26H21F4N5O3 and a molecular weight of 527.48 g/mol. Its IUPAC name is (3R)-3-(3,5-difluorophenyl)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-1,2-oxazolidine-2-carboxamide.

Molecular Properties

• Compound Name: (3R)-3-(3,5-difluorophenyl)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-1,2-oxazolidine-2-carboxamide
• PubChem CID: 170382547
• Molecular Formula: C26H21F4N5O3
• Molecular Weight: 527.48 g/mol
• Exact Mass: 527.16
• IUPAC Name: (3R)-3-(3,5-difluorophenyl)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-1,2-oxazolidine-2-carboxamide
• SMILES: Cc1cc(F)c(NC(=O)N2OCC[C@@H]2c2cc(F)cc(F)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1F
• InChI: InChI=1S/C26H21F4N5O3/c1-13-7-17(29)21(33-26(37)35-22(5-6-38-35)14-8-15(27)10-16(28)9-14)11-20(13)32-19-4-3-18-23(24(19)30)25(36)34(2)12-31-18/h3-4,7-12,22,32H,5-6H2,1-2H3,(H,33,37)/t22-/m1/s1
• InChIKey: RDFONEMUMWGLKQ-JOCHJYFZSA-N
• XLogP: 5.45
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.48
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-difluorophenyl)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-1,2-oxazolidine-2-carboxamide?

The IUPAC name of (3R)-3-(3,5-difluorophenyl)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-1,2-oxazolidine-2-carboxamide (CID 170382547) is (3R)-3-(3,5-difluorophenyl)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-1,2-oxazolidine-2-carboxamide.

What is the SMILES notation for (3R)-3-(3,5-difluorophenyl)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-1,2-oxazolidine-2-carboxamide?

The canonical SMILES for (3R)-3-(3,5-difluorophenyl)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-1,2-oxazolidine-2-carboxamide is Cc1cc(F)c(NC(=O)N2OCC[C@@H]2c2cc(F)cc(F)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1F.

What is the InChIKey of (3R)-3-(3,5-difluorophenyl)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-1,2-oxazolidine-2-carboxamide?

The InChIKey is RDFONEMUMWGLKQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H21F4N5O3/c1-13-7-17(29)21(33-26(37)35-22(5-6-38-35)14-8-15(27)10-16(28)9-14)11-20(13)32-19-4-3-18-23(24(19)30)25(36)34(2)12-31-18/h3-4,7-12,22,32H,5-6H2,1-2H3,(H,33,37)/t22-/m1/s1.

What are the key properties of (3R)-3-(3,5-difluorophenyl)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-1,2-oxazolidine-2-carboxamide?

(3R)-3-(3,5-difluorophenyl)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-1,2-oxazolidine-2-carboxamide has a molecular weight of 527.48 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(3,5-difluorophenyl)-N-[2-fluoro-5-[(5-fluoro-3-methyl-4-oxoquinazolin-6-yl)amino]-4-methylphenyl]-1,2-oxazolidine-2-carboxamide is sourced from PubChem (CID 170382547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).