5-[(1S)-1-aminoethyl]-N-(4-carbamoylphenyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide

C24H24F2N4O5 — CID 118475884

About 5-[(1S)-1-aminoethyl]-N-(4-carbamoylphenyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide

5-[(1S)-1-aminoethyl]-N-(4-carbamoylphenyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 118475884) has the molecular formula C24H24F2N4O5 and a molecular weight of 486.48 g/mol. Its IUPAC name is 5-[(1S)-1-aminoethyl]-N-(4-carbamoylphenyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[(1S)-1-aminoethyl]-N-(4-carbamoylphenyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 118475884
• Molecular Formula: C24H24F2N4O5
• Molecular Weight: 486.48 g/mol
• Exact Mass: 486.17
• IUPAC Name: 5-[(1S)-1-aminoethyl]-N-(4-carbamoylphenyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
• SMILES: C[C@H](N)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)Nc1ccc(C(N)=O)cc1
• InChI: InChI=1S/C24H24F2N4O5/c1-12(27)20-19(22(32)29-16-7-4-14(5-8-16)21(28)31)30-23(35-20)15-6-9-17(34-24(25)26)18(10-15)33-11-13-2-3-13/h4-10,12-13,24H,2-3,11,27H2,1H3,(H2,28,31)(H,29,32)/t12-/m0/s1
• InChIKey: WQQXGZNJWTWREC-LBPRGKRZSA-N
• XLogP: 4.10
• TPSA: 142.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.48
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminoethyl]-N-(4-carbamoylphenyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 5-[(1S)-1-aminoethyl]-N-(4-carbamoylphenyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide (CID 118475884) is 5-[(1S)-1-aminoethyl]-N-(4-carbamoylphenyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 5-[(1S)-1-aminoethyl]-N-(4-carbamoylphenyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 5-[(1S)-1-aminoethyl]-N-(4-carbamoylphenyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide is C[C@H](N)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)Nc1ccc(C(N)=O)cc1.

What is the InChIKey of 5-[(1S)-1-aminoethyl]-N-(4-carbamoylphenyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?

The InChIKey is WQQXGZNJWTWREC-LBPRGKRZSA-N. The full InChI is InChI=1S/C24H24F2N4O5/c1-12(27)20-19(22(32)29-16-7-4-14(5-8-16)21(28)31)30-23(35-20)15-6-9-17(34-24(25)26)18(10-15)33-11-13-2-3-13/h4-10,12-13,24H,2-3,11,27H2,1H3,(H2,28,31)(H,29,32)/t12-/m0/s1.

What are the key properties of 5-[(1S)-1-aminoethyl]-N-(4-carbamoylphenyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide?

5-[(1S)-1-aminoethyl]-N-(4-carbamoylphenyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 486.48 g/mol, XLogP of 4.10, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1S)-1-aminoethyl]-N-(4-carbamoylphenyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118475884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).