tert-butyl N-[4-carbamoyl-3-[4-[2-[[3-(3,3-dimethylcyclobutyl)-4-fluoro-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazol-5-yl]carbamate

C29H37FN6O5 — CID 163292010

About tert-butyl N-[4-carbamoyl-3-[4-[2-[[3-(3,3-dimethylcyclobutyl)-4-fluoro-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazol-5-yl]carbamate

tert-butyl N-[4-carbamoyl-3-[4-[2-[[3-(3,3-dimethylcyclobutyl)-4-fluoro-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazol-5-yl]carbamate (PubChem CID 163292010) has the molecular formula C29H37FN6O5 and a molecular weight of 568.65 g/mol. Its IUPAC name is tert-butyl N-[4-carbamoyl-3-[4-[2-[[3-(3,3-dimethylcyclobutyl)-4-fluoro-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazol-5-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-carbamoyl-3-[4-[2-[[3-(3,3-dimethylcyclobutyl)-4-fluoro-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazol-5-yl]carbamate
• PubChem CID: 163292010
• Molecular Formula: C29H37FN6O5
• Molecular Weight: 568.65 g/mol
• Exact Mass: 568.28
• IUPAC Name: tert-butyl N-[4-carbamoyl-3-[4-[2-[[3-(3,3-dimethylcyclobutyl)-4-fluoro-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazol-5-yl]carbamate
• SMILES: CC(C)n1nc(-c2ccc(CC(=O)Nc3onc(C4CC(C)(C)C4)c3F)cc2)c(C(N)=O)c1NC(=O)OC(C)(C)C
• InChI: InChI=1S/C29H37FN6O5/c1-15(2)36-25(33-27(39)40-28(3,4)5)20(24(31)38)22(34-36)17-10-8-16(9-11-17)12-19(37)32-26-21(30)23(35-41-26)18-13-29(6,7)14-18/h8-11,15,18H,12-14H2,1-7H3,(H2,31,38)(H,32,37)(H,33,39)
• InChIKey: XGKUDEJBBWKEOO-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 154.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.65
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-carbamoyl-3-[4-[2-[[3-(3,3-dimethylcyclobutyl)-4-fluoro-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazol-5-yl]carbamate?

The IUPAC name of tert-butyl N-[4-carbamoyl-3-[4-[2-[[3-(3,3-dimethylcyclobutyl)-4-fluoro-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazol-5-yl]carbamate (CID 163292010) is tert-butyl N-[4-carbamoyl-3-[4-[2-[[3-(3,3-dimethylcyclobutyl)-4-fluoro-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazol-5-yl]carbamate.

What is the SMILES notation for tert-butyl N-[4-carbamoyl-3-[4-[2-[[3-(3,3-dimethylcyclobutyl)-4-fluoro-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazol-5-yl]carbamate?

The canonical SMILES for tert-butyl N-[4-carbamoyl-3-[4-[2-[[3-(3,3-dimethylcyclobutyl)-4-fluoro-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazol-5-yl]carbamate is CC(C)n1nc(-c2ccc(CC(=O)Nc3onc(C4CC(C)(C)C4)c3F)cc2)c(C(N)=O)c1NC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[4-carbamoyl-3-[4-[2-[[3-(3,3-dimethylcyclobutyl)-4-fluoro-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazol-5-yl]carbamate?

The InChIKey is XGKUDEJBBWKEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN6O5/c1-15(2)36-25(33-27(39)40-28(3,4)5)20(24(31)38)22(34-36)17-10-8-16(9-11-17)12-19(37)32-26-21(30)23(35-41-26)18-13-29(6,7)14-18/h8-11,15,18H,12-14H2,1-7H3,(H2,31,38)(H,32,37)(H,33,39).

What are the key properties of tert-butyl N-[4-carbamoyl-3-[4-[2-[[3-(3,3-dimethylcyclobutyl)-4-fluoro-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazol-5-yl]carbamate?

tert-butyl N-[4-carbamoyl-3-[4-[2-[[3-(3,3-dimethylcyclobutyl)-4-fluoro-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazol-5-yl]carbamate has a molecular weight of 568.65 g/mol, XLogP of 5.79, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-carbamoyl-3-[4-[2-[[3-(3,3-dimethylcyclobutyl)-4-fluoro-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazol-5-yl]carbamate is sourced from PubChem (CID 163292010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).