N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide

C17H23N3O5 — CID 166396100

IUPACN-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)c(C(=O)NCC(C)(C)CNC(=O)c2c(C)o[nH]c2=O)o1
InChIInChI=1S/C17H23N3O5/c1-9-6-10(2)24-13(9)16(23)19-8-17(4,5)7-18-14(21)12-11(3)25-20-15(12)22/h6H,7-8H2,1-5H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyXJBYZUMJJQZVCH-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.67
Rot. Bonds6

About N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide

N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide (PubChem CID 166396100) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide
PubChem CID166396100
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC NameN-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)c(C(=O)NCC(C)(C)CNC(=O)c2c(C)o[nH]c2=O)o1
InChIInChI=1S/C17H23N3O5/c1-9-6-10(2)24-13(9)16(23)19-8-17(4,5)7-18-14(21)12-11(3)25-20-15(12)22/h6H,7-8H2,1-5H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyXJBYZUMJJQZVCH-UHFFFAOYSA-N
XLogP1.67
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide (CID 166396100) is N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide is Cc1cc(C)c(C(=O)NCC(C)(C)CNC(=O)c2c(C)o[nH]c2=O)o1.
What is the InChIKey of N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide?
The InChIKey is XJBYZUMJJQZVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-9-6-10(2)24-13(9)16(23)19-8-17(4,5)7-18-14(21)12-11(3)25-20-15(12)22/h6H,7-8H2,1-5H3,(H,18,21)(H,19,23)(H,20,22).
What are the key properties of N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide?
N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]-2,2-dimethylpropyl]-5-methyl-3-oxo-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166396100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).