N-[(2S)-1-[[(2S)-1-[[(2S)-3-(2-fluorophenyl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C26H33FN4O7 — CID 59217683

About N-[(2S)-1-[[(2S)-1-[[(2S)-3-(2-fluorophenyl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S)-1-[[(2S)-1-[[(2S)-3-(2-fluorophenyl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 59217683) has the molecular formula C26H33FN4O7 and a molecular weight of 532.57 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[[(2S)-3-(2-fluorophenyl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-1-[[(2S)-3-(2-fluorophenyl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 59217683
• Molecular Formula: C26H33FN4O7
• Molecular Weight: 532.57 g/mol
• Exact Mass: 532.23
• IUPAC Name: N-[(2S)-1-[[(2S)-1-[[(2S)-3-(2-fluorophenyl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1F)C(=O)C1(C)CC1
• InChI: InChI=1S/C26H33FN4O7/c1-15-11-19(31-38-15)23(33)29-21(14-37-4)25(35)30-20(13-36-3)24(34)28-18(22(32)26(2)9-10-26)12-16-7-5-6-8-17(16)27/h5-8,11,18,20-21H,9-10,12-14H2,1-4H3,(H,28,34)(H,29,33)(H,30,35)/t18-,20-,21-/m0/s1
• InChIKey: JBTUXUQSRNBICN-JBACZVJFSA-N
• XLogP: 1.09
• TPSA: 148.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.57
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-3-(2-fluorophenyl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-3-(2-fluorophenyl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 59217683) is N-[(2S)-1-[[(2S)-1-[[(2S)-3-(2-fluorophenyl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-1-[[(2S)-3-(2-fluorophenyl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-1-[[(2S)-3-(2-fluorophenyl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is COC[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](COC)C(=O)N[C@@H](Cc1ccccc1F)C(=O)C1(C)CC1.

What is the InChIKey of N-[(2S)-1-[[(2S)-1-[[(2S)-3-(2-fluorophenyl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is JBTUXUQSRNBICN-JBACZVJFSA-N. The full InChI is InChI=1S/C26H33FN4O7/c1-15-11-19(31-38-15)23(33)29-21(14-37-4)25(35)30-20(13-36-3)24(34)28-18(22(32)26(2)9-10-26)12-16-7-5-6-8-17(16)27/h5-8,11,18,20-21H,9-10,12-14H2,1-4H3,(H,28,34)(H,29,33)(H,30,35)/t18-,20-,21-/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S)-1-[[(2S)-3-(2-fluorophenyl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[(2S)-1-[[(2S)-1-[[(2S)-3-(2-fluorophenyl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 532.57 g/mol, XLogP of 1.09, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-1-[[(2S)-3-(2-fluorophenyl)-1-(1-methylcyclopropyl)-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 59217683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).