propan-2-yl N-[1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]carbamate

C24H30F2N4O6 — CID 118934814

About propan-2-yl N-[1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]carbamate

propan-2-yl N-[1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]carbamate (PubChem CID 118934814) has the molecular formula C24H30F2N4O6 and a molecular weight of 508.52 g/mol. Its IUPAC name is propan-2-yl N-[1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]carbamate
• PubChem CID: 118934814
• Molecular Formula: C24H30F2N4O6
• Molecular Weight: 508.52 g/mol
• Exact Mass: 508.21
• IUPAC Name: propan-2-yl N-[1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]carbamate
• SMILES: CC(C)OC(=O)NC1CN(C(=O)c2nc(-c3ccc(OC(F)F)c(OCC4CC4)c3)oc2[C@H](C)N)C1
• InChI: InChI=1S/C24H30F2N4O6/c1-12(2)34-24(32)28-16-9-30(10-16)22(31)19-20(13(3)27)36-21(29-19)15-6-7-17(35-23(25)26)18(8-15)33-11-14-4-5-14/h6-8,12-14,16,23H,4-5,9-11,27H2,1-3H3,(H,28,32)/t13-/m0/s1
• InChIKey: GGOPDXVOLGDDGC-ZDUSSCGKSA-N
• XLogP: 3.71
• TPSA: 129.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.52
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]carbamate?

The IUPAC name of propan-2-yl N-[1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]carbamate (CID 118934814) is propan-2-yl N-[1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]carbamate.

What is the SMILES notation for propan-2-yl N-[1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]carbamate?

The canonical SMILES for propan-2-yl N-[1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]carbamate is CC(C)OC(=O)NC1CN(C(=O)c2nc(-c3ccc(OC(F)F)c(OCC4CC4)c3)oc2[C@H](C)N)C1.

What is the InChIKey of propan-2-yl N-[1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]carbamate?

The InChIKey is GGOPDXVOLGDDGC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H30F2N4O6/c1-12(2)34-24(32)28-16-9-30(10-16)22(31)19-20(13(3)27)36-21(29-19)15-6-7-17(35-23(25)26)18(8-15)33-11-14-4-5-14/h6-8,12-14,16,23H,4-5,9-11,27H2,1-3H3,(H,28,32)/t13-/m0/s1.

What are the key properties of propan-2-yl N-[1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]carbamate?

propan-2-yl N-[1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]carbamate has a molecular weight of 508.52 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 118934814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).