N-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide

C14H14N2O4 — CID 71909249

IUPACN-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)c2ccc3c(c2)OCO3)o1
InChIInChI=1S/C14H14N2O4/c1-8-13(20-9(2)15-8)14(17)16(3)10-4-5-11-12(6-10)19-7-18-11/h4-6H,7H2,1-3H3
InChIKeyXAFPVIBWQPNCLC-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.30
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide

N-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide (PubChem CID 71909249) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
PubChem CID71909249
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)c2ccc3c(c2)OCO3)o1
InChIInChI=1S/C14H14N2O4/c1-8-13(20-9(2)15-8)14(17)16(3)10-4-5-11-12(6-10)19-7-18-11/h4-6H,7H2,1-3H3
InChIKeyXAFPVIBWQPNCLC-UHFFFAOYSA-N
XLogP2.30
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide (CID 71909249) is N-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)N(C)c2ccc3c(c2)OCO3)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is XAFPVIBWQPNCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-13(20-9(2)15-8)14(17)16(3)10-4-5-11-12(6-10)19-7-18-11/h4-6H,7H2,1-3H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N,2,4-trimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 71909249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).