5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

C22H34N4O9 — CID 25128325

IUPAC5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOC[C@H](NC(=O)c1cc(CO)on1)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C22H34N4O9/c1-12(2)6-14(18(28)22(3)11-34-22)23-20(30)16(9-32-4)25-21(31)17(10-33-5)24-19(29)15-7-13(8-27)35-26-15/h7,12,14,16-17,27H,6,8-11H2,1-5H3,(H,23,30)(H,24,29)(H,25,31)/t14-,16-,17-,22+/m0/s1
InChIKeyGXQXXIIOHAHCTM-KLMMPHRKSA-N
MW498.53 g/mol
LogP-1.07
Rot. Bonds15

About 5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 25128325) has the molecular formula C22H34N4O9 and a molecular weight of 498.53 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID25128325
Molecular FormulaC22H34N4O9
Molecular Weight498.53 g/mol
Exact Mass498.23
IUPAC Name5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOC[C@H](NC(=O)c1cc(CO)on1)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C22H34N4O9/c1-12(2)6-14(18(28)22(3)11-34-22)23-20(30)16(9-32-4)25-21(31)17(10-33-5)24-19(29)15-7-13(8-27)35-26-15/h7,12,14,16-17,27H,6,8-11H2,1-5H3,(H,23,30)(H,24,29)(H,25,31)/t14-,16-,17-,22+/m0/s1
InChIKeyGXQXXIIOHAHCTM-KLMMPHRKSA-N
XLogP-1.07
TPSA181.62 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (CID 25128325) is 5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is COC[C@H](NC(=O)c1cc(CO)on1)C(=O)N[C@@H](COC)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1.
What is the InChIKey of 5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is GXQXXIIOHAHCTM-KLMMPHRKSA-N. The full InChI is InChI=1S/C22H34N4O9/c1-12(2)6-14(18(28)22(3)11-34-22)23-20(30)16(9-32-4)25-21(31)17(10-33-5)24-19(29)15-7-13(8-27)35-26-15/h7,12,14,16-17,27H,6,8-11H2,1-5H3,(H,23,30)(H,24,29)(H,25,31)/t14-,16-,17-,22+/m0/s1.
What are the key properties of 5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 498.53 g/mol, XLogP of -1.07, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-[(2S)-3-methoxy-1-[[(2S)-3-methoxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25128325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).