5-tert-butyl-N-[(1R)-1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide

C24H25ClFN5O3 — CID 155288198

About 5-tert-butyl-N-[(1R)-1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide

5-tert-butyl-N-[(1R)-1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 155288198) has the molecular formula C24H25ClFN5O3 and a molecular weight of 485.95 g/mol. Its IUPAC name is 5-tert-butyl-N-[(1R)-1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[(1R)-1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 155288198
• Molecular Formula: C24H25ClFN5O3
• Molecular Weight: 485.95 g/mol
• Exact Mass: 485.16
• IUPAC Name: 5-tert-butyl-N-[(1R)-1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: C[C@@H](NC(=O)c1noc(C(C)(C)C)n1)c1cc(F)c(-c2ccnc(NC(=O)C3CC3)c2)cc1Cl
• InChI: InChI=1S/C24H25ClFN5O3/c1-12(28-22(33)20-30-23(34-31-20)24(2,3)4)15-11-18(26)16(10-17(15)25)14-7-8-27-19(9-14)29-21(32)13-5-6-13/h7-13H,5-6H2,1-4H3,(H,28,33)(H,27,29,32)/t12-/m1/s1
• InChIKey: QFVVZYZQYZFHNG-GFCCVEGCSA-N
• XLogP: 5.06
• TPSA: 110.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.95
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(1R)-1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of 5-tert-butyl-N-[(1R)-1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide (CID 155288198) is 5-tert-butyl-N-[(1R)-1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-[(1R)-1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for 5-tert-butyl-N-[(1R)-1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is C[C@@H](NC(=O)c1noc(C(C)(C)C)n1)c1cc(F)c(-c2ccnc(NC(=O)C3CC3)c2)cc1Cl.

What is the InChIKey of 5-tert-butyl-N-[(1R)-1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is QFVVZYZQYZFHNG-GFCCVEGCSA-N. The full InChI is InChI=1S/C24H25ClFN5O3/c1-12(28-22(33)20-30-23(34-31-20)24(2,3)4)15-11-18(26)16(10-17(15)25)14-7-8-27-19(9-14)29-21(32)13-5-6-13/h7-13H,5-6H2,1-4H3,(H,28,33)(H,27,29,32)/t12-/m1/s1.

What are the key properties of 5-tert-butyl-N-[(1R)-1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide?

5-tert-butyl-N-[(1R)-1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 485.95 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[(1R)-1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-fluorophenyl]ethyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 155288198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).