5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide

C24H28N6O3 — CID 167059255

About 5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide

5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide (PubChem CID 167059255) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
• PubChem CID: 167059255
• Molecular Formula: C24H28N6O3
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.22
• IUPAC Name: 5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
• SMILES: C=C(C)CCc1cc(NC(=O)Cc2ccc(-c3nn(C4(C)CC4)c(N)c3C(N)=O)cc2)on1
• InChI: InChI=1S/C24H28N6O3/c1-14(2)4-9-17-13-19(33-29-17)27-18(31)12-15-5-7-16(8-6-15)21-20(23(26)32)22(25)30(28-21)24(3)10-11-24/h5-8,13H,1,4,9-12,25H2,2-3H3,(H2,26,32)(H,27,31)
• InChIKey: JUXHNOLCECIGAU-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 142.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide?

The IUPAC name of 5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide (CID 167059255) is 5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide is C=C(C)CCc1cc(NC(=O)Cc2ccc(-c3nn(C4(C)CC4)c(N)c3C(N)=O)cc2)on1.

What is the InChIKey of 5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide?

The InChIKey is JUXHNOLCECIGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-14(2)4-9-17-13-19(33-29-17)27-18(31)12-15-5-7-16(8-6-15)21-20(23(26)32)22(25)30(28-21)24(3)10-11-24/h5-8,13H,1,4,9-12,25H2,2-3H3,(H2,26,32)(H,27,31).

What are the key properties of 5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide?

5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 3.42, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 167059255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).