5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide

C20H28N4O6 — CID 75534327

IUPAC5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC2C(C)(C)C(NC(=O)c3cc(COC)on3)C2(C)C)no1
InChIInChI=1S/C20H28N4O6/c1-19(2)17(21-15(25)13-7-11(9-27-5)29-23-13)20(3,4)18(19)22-16(26)14-8-12(10-28-6)30-24-14/h7-8,17-18H,9-10H2,1-6H3,(H,21,25)(H,22,26)
InChIKeyBEWPKUUCTVDYPT-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.92
Rot. Bonds8

About 5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide

5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide (PubChem CID 75534327) has the molecular formula C20H28N4O6 and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide
PubChem CID75534327
Molecular FormulaC20H28N4O6
Molecular Weight420.47 g/mol
Exact Mass420.20
IUPAC Name5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC2C(C)(C)C(NC(=O)c3cc(COC)on3)C2(C)C)no1
InChIInChI=1S/C20H28N4O6/c1-19(2)17(21-15(25)13-7-11(9-27-5)29-23-13)20(3,4)18(19)22-16(26)14-8-12(10-28-6)30-24-14/h7-8,17-18H,9-10H2,1-6H3,(H,21,25)(H,22,26)
InChIKeyBEWPKUUCTVDYPT-UHFFFAOYSA-N
XLogP1.92
TPSA128.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide (CID 75534327) is 5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NC2C(C)(C)C(NC(=O)c3cc(COC)on3)C2(C)C)no1.
What is the InChIKey of 5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BEWPKUUCTVDYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O6/c1-19(2)17(21-15(25)13-7-11(9-27-5)29-23-13)20(3,4)18(19)22-16(26)14-8-12(10-28-6)30-24-14/h7-8,17-18H,9-10H2,1-6H3,(H,21,25)(H,22,26).
What are the key properties of 5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide?
5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2,2,4,4-tetramethylcyclobutyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75534327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).