N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide

C27H23FN6O5 — CID 123616237

About N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide

N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 123616237) has the molecular formula C27H23FN6O5 and a molecular weight of 530.52 g/mol. Its IUPAC name is N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide
• PubChem CID: 123616237
• Molecular Formula: C27H23FN6O5
• Molecular Weight: 530.52 g/mol
• Exact Mass: 530.17
• IUPAC Name: N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide
• SMILES: COc1cc(C(=O)NC2(C(=O)NCc3ccc(-n4c(-c5nc(C)no5)cc5cc(F)ccc54)cc3)CC2)on1
• InChI: InChI=1S/C27H23FN6O5/c1-15-30-25(39-32-15)21-12-17-11-18(28)5-8-20(17)34(21)19-6-3-16(4-7-19)14-29-26(36)27(9-10-27)31-24(35)22-13-23(37-2)33-38-22/h3-8,11-13H,9-10,14H2,1-2H3,(H,29,36)(H,31,35)
• InChIKey: FKANDYDFPDSNSL-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 137.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.52
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide (CID 123616237) is N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NC2(C(=O)NCc3ccc(-n4c(-c5nc(C)no5)cc5cc(F)ccc54)cc3)CC2)on1.

What is the InChIKey of N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide?

The InChIKey is FKANDYDFPDSNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O5/c1-15-30-25(39-32-15)21-12-17-11-18(28)5-8-20(17)34(21)19-6-3-16(4-7-19)14-29-26(36)27(9-10-27)31-24(35)22-13-23(37-2)33-38-22/h3-8,11-13H,9-10,14H2,1-2H3,(H,29,36)(H,31,35).

What are the key properties of N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide?

N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 530.52 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 123616237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).