N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

C17H19N3O5 — CID 42770908

IUPACN-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCCC(C)N(CC(=O)Nc1ccon1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H19N3O5/c1-3-11(2)20(9-16(21)18-15-6-7-25-19-15)17(22)12-4-5-13-14(8-12)24-10-23-13/h4-8,11H,3,9-10H2,1-2H3,(H,18,19,21)
InChIKeyOHEPIXFLNJBZBF-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.28
Rot. Bonds6

About N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 42770908) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID42770908
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC NameN-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCCC(C)N(CC(=O)Nc1ccon1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H19N3O5/c1-3-11(2)20(9-16(21)18-15-6-7-25-19-15)17(22)12-4-5-13-14(8-12)24-10-23-13/h4-8,11H,3,9-10H2,1-2H3,(H,18,19,21)
InChIKeyOHEPIXFLNJBZBF-UHFFFAOYSA-N
XLogP2.28
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 5085996
N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42769002
4-ethyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 813708
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 813725
4-methyl-N-(2-methylpropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42769081
N-[(2R)-butan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 7356137
N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 813750
N-butan-2-yl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 42768797
N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 7361350
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide
CID 42769111
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 42769101
N-butan-2-yl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 5041792

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (CID 42770908) is N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is CCC(C)N(CC(=O)Nc1ccon1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is OHEPIXFLNJBZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-3-11(2)20(9-16(21)18-15-6-7-25-19-15)17(22)12-4-5-13-14(8-12)24-10-23-13/h4-8,11H,3,9-10H2,1-2H3,(H,18,19,21).
What are the key properties of N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42770908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).