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

C26H32F2N4O5 — CID 118934942

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

1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 118934942) has the molecular formula C26H32F2N4O5 and a molecular weight of 518.56 g/mol. Its IUPAC name is 1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-N-cyclopropylpiperidine-4-carboxamide
• PubChem CID: 118934942
• Molecular Formula: C26H32F2N4O5
• Molecular Weight: 518.56 g/mol
• Exact Mass: 518.23
• IUPAC Name: 1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-N-cyclopropylpiperidine-4-carboxamide
• SMILES: C[C@H](N)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)N1CCC(C(=O)NC2CC2)CC1
• InChI: InChI=1S/C26H32F2N4O5/c1-14(29)22-21(25(34)32-10-8-16(9-11-32)23(33)30-18-5-6-18)31-24(37-22)17-4-7-19(36-26(27)28)20(12-17)35-13-15-2-3-15/h4,7,12,14-16,18,26H,2-3,5-6,8-11,13,29H2,1H3,(H,30,33)/t14-/m0/s1
• InChIKey: KKNXOTMJKUEUEM-AWEZNQCLSA-N
• XLogP: 3.88
• TPSA: 119.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.56
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-N-cyclopropylpiperidine-4-carboxamide (CID 118934942) is 1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-N-cyclopropylpiperidine-4-carboxamide.

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

The canonical SMILES for 1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-N-cyclopropylpiperidine-4-carboxamide is C[C@H](N)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)N1CCC(C(=O)NC2CC2)CC1.

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

The InChIKey is KKNXOTMJKUEUEM-AWEZNQCLSA-N. The full InChI is InChI=1S/C26H32F2N4O5/c1-14(29)22-21(25(34)32-10-8-16(9-11-32)23(33)30-18-5-6-18)31-24(37-22)17-4-7-19(36-26(27)28)20(12-17)35-13-15-2-3-15/h4,7,12,14-16,18,26H,2-3,5-6,8-11,13,29H2,1H3,(H,30,33)/t14-/m0/s1.

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

1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 518.56 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 118934942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).