N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(3-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

C26H35FN4O4 — CID 56639888

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

N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(3-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 56639888) has the molecular formula C26H35FN4O4 and a molecular weight of 486.59 g/mol. Its IUPAC name is N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(3-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(3-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
• PubChem CID: 56639888
• Molecular Formula: C26H35FN4O4
• Molecular Weight: 486.59 g/mol
• Exact Mass: 486.26
• IUPAC Name: N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(3-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
• SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1cccc(F)c1
• InChI: InChI=1S/C26H35FN4O4/c1-3-17(2)23(26(34)28-16-19-10-7-11-20(27)14-19)31-24(32)21(15-18-8-5-4-6-9-18)30-25(33)22-12-13-29-35-22/h7,10-14,17-18,21,23H,3-6,8-9,15-16H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)/t17-,21-,23-/m0/s1
• InChIKey: GJBUNTXVUMKFQT-HYVJGQCMSA-N
• XLogP: 3.73
• TPSA: 113.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.59
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(3-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide (CID 56639888) is N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(3-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide.

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

The canonical SMILES for N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(3-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1cccc(F)c1.

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

The InChIKey is GJBUNTXVUMKFQT-HYVJGQCMSA-N. The full InChI is InChI=1S/C26H35FN4O4/c1-3-17(2)23(26(34)28-16-19-10-7-11-20(27)14-19)31-24(32)21(15-18-8-5-4-6-9-18)30-25(33)22-12-13-29-35-22/h7,10-14,17-18,21,23H,3-6,8-9,15-16H2,1-2H3,(H,28,34)(H,30,33)(H,31,32)/t17-,21-,23-/m0/s1.

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

N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(3-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 486.59 g/mol, XLogP of 3.73, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(3-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56639888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).