5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide

C14H14N2O4 — CID 5052952

IUPAC5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C14H14N2O4/c1-8(2)15-14(17)10-6-12(20-16-10)9-3-4-11-13(5-9)19-7-18-11/h3-6,8H,7H2,1-2H3,(H,15,17)
InChIKeyJSCCUYJAUWRJCB-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.21
Rot. Bonds3

About 5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide

5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 5052952) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID5052952
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
InChIInChI=1S/C14H14N2O4/c1-8(2)15-14(17)10-6-12(20-16-10)9-3-4-11-13(5-9)19-7-18-11/h3-6,8H,7H2,1-2H3,(H,15,17)
InChIKeyJSCCUYJAUWRJCB-UHFFFAOYSA-N
XLogP2.21
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Methoxyphenyl)-3-[(pyrrolidin-1-yl)carbonyl]-1,2-oxazole
CID 6619182
N-allyl-5-(1,3-benzodioxol-5-yl)isoxazole-3-carboxamide
CID 3423164
5-(1,3-benzodioxol-5-yl)-N-(sec-butyl)isoxazole-3-carboxamide
CID 3662254
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
[5-(1,3-Benzodioxol-5-yl)-1,2-oxazol-3-yl]-piperidin-1-ylmethanone
CID 4080332
1-{[5-(1,3-Benzodioxol-5-yl)-3-isoxazolyl]carbonyl}-2-methylpiperidine
CID 4319000
5-(1,3-benzodioxol-5-yl)-N,N-diethylisoxazole-3-carboxamide
CID 4524979
N-cyclopentyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 6619102
5-(1,3-benzodioxol-5-yl)-N-isobutylisoxazole-3-carboxamide
CID 15993269
5-(1,3-benzodioxol-5-yl)-N-butylisoxazole-3-carboxamide
CID 15994188
5-(1,3-benzodioxol-5-yl)-N-propylisoxazole-3-carboxamide
CID 16002469
1-[5-(2H-1,3-Benzodioxol-5-YL)-1,2-oxazole-3-carbonyl]-4-methylpiperidine
CID 16003877

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide (CID 5052952) is 5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is JSCCUYJAUWRJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8(2)15-14(17)10-6-12(20-16-10)9-3-4-11-13(5-9)19-7-18-11/h3-6,8H,7H2,1-2H3,(H,15,17).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5052952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).