propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

C22H25FN4O3S — CID 169263363

About propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 169263363) has the molecular formula C22H25FN4O3S and a molecular weight of 444.53 g/mol. Its IUPAC name is propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• PubChem CID: 169263363
• Molecular Formula: C22H25FN4O3S
• Molecular Weight: 444.53 g/mol
• Exact Mass: 444.16
• IUPAC Name: propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• SMILES: CC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(Nc4ncco4)cc3F)s2)CC1
• InChI: InChI=1S/C22H25FN4O3S/c1-13(2)30-22(28)27-15-5-3-14(4-6-15)20-25-12-19(31-20)17-8-7-16(11-18(17)23)26-21-24-9-10-29-21/h7-15H,3-6H2,1-2H3,(H,24,26)(H,27,28)
• InChIKey: YUTSQFOFVRMUMP-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 89.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.53
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 169263363) is propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

What is the SMILES notation for propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The canonical SMILES for propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is CC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(Nc4ncco4)cc3F)s2)CC1.

What is the InChIKey of propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The InChIKey is YUTSQFOFVRMUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3S/c1-13(2)30-22(28)27-15-5-3-14(4-6-15)20-25-12-19(31-20)17-8-7-16(11-18(17)23)26-21-24-9-10-29-21/h7-15H,3-6H2,1-2H3,(H,24,26)(H,27,28).

What are the key properties of propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 444.53 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[5-[2-fluoro-4-(1,3-oxazol-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 169263363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).