5-(hydroxymethyl)-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide

C24H37N3O8 — CID 158298987

About 5-(hydroxymethyl)-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide

5-(hydroxymethyl)-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 158298987) has the molecular formula C24H37N3O8 and a molecular weight of 495.57 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(hydroxymethyl)-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide
• PubChem CID: 158298987
• Molecular Formula: C24H37N3O8
• Molecular Weight: 495.57 g/mol
• Exact Mass: 495.26
• IUPAC Name: 5-(hydroxymethyl)-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide
• SMILES: COC[C@H](CC(=O)[C@H](COC)NC(=O)c1cc(CO)on1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1
• InChI: InChI=1S/C24H37N3O8/c1-14(2)8-17(21(30)24(3)6-7-24)25-22(31)15(12-33-4)9-20(29)19(13-34-5)26-23(32)18-10-16(11-28)35-27-18/h10,14-15,17,19,28H,6-9,11-13H2,1-5H3,(H,25,31)(H,26,32)/t15-,17-,19-/m0/s1
• InChIKey: UNDHHVRXDAVTEZ-IEZWGBDMSA-N
• XLogP: 1.03
• TPSA: 157.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.57
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(hydroxymethyl)-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide (CID 158298987) is 5-(hydroxymethyl)-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(hydroxymethyl)-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(hydroxymethyl)-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide is COC[C@H](CC(=O)[C@H](COC)NC(=O)c1cc(CO)on1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.

What is the InChIKey of 5-(hydroxymethyl)-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide?

The InChIKey is UNDHHVRXDAVTEZ-IEZWGBDMSA-N. The full InChI is InChI=1S/C24H37N3O8/c1-14(2)8-17(21(30)24(3)6-7-24)25-22(31)15(12-33-4)9-20(29)19(13-34-5)26-23(32)18-10-16(11-28)35-27-18/h10,14-15,17,19,28H,6-9,11-13H2,1-5H3,(H,25,31)(H,26,32)/t15-,17-,19-/m0/s1.

What are the key properties of 5-(hydroxymethyl)-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide?

5-(hydroxymethyl)-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 495.57 g/mol, XLogP of 1.03, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(hydroxymethyl)-N-[(2S,5S)-1-methoxy-5-(methoxymethyl)-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158298987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).