(1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide;1,3-oxazole-5-carboxylic acid;hydrochloride

C40H31Cl3F4N6O7 — CID 158108248

About (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide;1,3-oxazole-5-carboxylic acid;hydrochloride

(1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide;1,3-oxazole-5-carboxylic acid;hydrochloride (PubChem CID 158108248) has the molecular formula C40H31Cl3F4N6O7 and a molecular weight of 890.07 g/mol. Its IUPAC name is (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide;1,3-oxazole-5-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide;1,3-oxazole-5-carboxylic acid;hydrochloride
• PubChem CID: 158108248
• Molecular Formula: C40H31Cl3F4N6O7
• Molecular Weight: 890.07 g/mol
• Exact Mass: 888.13
• IUPAC Name: (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide;1,3-oxazole-5-carboxylic acid;hydrochloride
• SMILES: Cl.N[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21.O=C(N[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21)c1cnco1.O=C(O)c1cnco1
• InChI: InChI=1S/C20H14ClF2N3O3.C16H13ClF2N2O.C4H3NO3.ClH/c21-13-7-10(1-4-14(13)22)25-19(27)12-2-5-15(23)18-11(12)3-6-16(18)26-20(28)17-8-24-9-29-17;17-11-7-8(1-4-12(11)18)21-16(22)10-2-5-13(19)15-9(10)3-6-14(15)20;6-4(7)3-1-5-2-8-3;/h1-2,4-5,7-9,16H,3,6H2,(H,25,27)(H,26,28);1-2,4-5,7,14H,3,6,20H2,(H,21,22);1-2H,(H,6,7);1H/t16-;14-;;/m00../s1
• InChIKey: LAZKEZBBFXGIMZ-VDQSAJJPSA-N
• XLogP: 8.89
• TPSA: 202.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.07
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide;1,3-oxazole-5-carboxylic acid;hydrochloride?

The IUPAC name of (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide;1,3-oxazole-5-carboxylic acid;hydrochloride (CID 158108248) is (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide;1,3-oxazole-5-carboxylic acid;hydrochloride.

What is the SMILES notation for (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide;1,3-oxazole-5-carboxylic acid;hydrochloride?

The canonical SMILES for (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide;1,3-oxazole-5-carboxylic acid;hydrochloride is Cl.N[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21.O=C(N[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21)c1cnco1.O=C(O)c1cnco1.

What is the InChIKey of (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide;1,3-oxazole-5-carboxylic acid;hydrochloride?

The InChIKey is LAZKEZBBFXGIMZ-VDQSAJJPSA-N. The full InChI is InChI=1S/C20H14ClF2N3O3.C16H13ClF2N2O.C4H3NO3.ClH/c21-13-7-10(1-4-14(13)22)25-19(27)12-2-5-15(23)18-11(12)3-6-16(18)26-20(28)17-8-24-9-29-17;17-11-7-8(1-4-12(11)18)21-16(22)10-2-5-13(19)15-9(10)3-6-14(15)20;6-4(7)3-1-5-2-8-3;/h1-2,4-5,7-9,16H,3,6H2,(H,25,27)(H,26,28);1-2,4-5,7,14H,3,6,20H2,(H,21,22);1-2H,(H,6,7);1H/t16-;14-;;/m00../s1.

What are the key properties of (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide;1,3-oxazole-5-carboxylic acid;hydrochloride?

(1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide;1,3-oxazole-5-carboxylic acid;hydrochloride has a molecular weight of 890.07 g/mol, XLogP of 8.89, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide;1,3-oxazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 158108248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).