N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide

C14H14N2O4 — CID 110410345

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCc2ccc3c(c2)OCO3)no1
InChIInChI=1S/C14H14N2O4/c1-9-4-11(16-20-9)6-14(17)15-7-10-2-3-12-13(5-10)19-8-18-12/h2-5H,6-8H2,1H3,(H,15,17)
InChIKeyFQQLUTLDNNXBBB-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.57
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 110410345) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID110410345
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCc2ccc3c(c2)OCO3)no1
InChIInChI=1S/C14H14N2O4/c1-9-4-11(16-20-9)6-14(17)15-7-10-2-3-12-13(5-10)19-8-18-12/h2-5H,6-8H2,1H3,(H,15,17)
InChIKeyFQQLUTLDNNXBBB-UHFFFAOYSA-N
XLogP1.57
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9124350
2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110410763
N-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethylbutanamide
CID 670795
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112522048
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691869
2-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 30850612
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2,4-difluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 27555557
(2R)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9314624
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715476
N-[[4-[ethyl(methyl)amino]-3-fluorophenyl]methyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 71866828
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 110851669
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide
CID 110697623

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 110410345) is N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(CC(=O)NCc2ccc3c(c2)OCO3)no1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is FQQLUTLDNNXBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-4-11(16-20-9)6-14(17)15-7-10-2-3-12-13(5-10)19-8-18-12/h2-5H,6-8H2,1H3,(H,15,17).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 274.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 110410345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).