N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide

C14H14N2O4 — CID 110743046

IUPACN-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1nc(CCNC(=O)c2ccc3c(c2)OCO3)co1
InChIInChI=1S/C14H14N2O4/c1-9-16-11(7-18-9)4-5-15-14(17)10-2-3-12-13(6-10)20-8-19-12/h2-3,6-7H,4-5,8H2,1H3,(H,15,17)
InChIKeyPJRLWHDKQHZNMP-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.68
Rot. Bonds4

About N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110743046) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110743046
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1nc(CCNC(=O)c2ccc3c(c2)OCO3)co1
InChIInChI=1S/C14H14N2O4/c1-9-16-11(7-18-9)4-5-15-14(17)10-2-3-12-13(6-10)20-8-19-12/h2-3,6-7H,4-5,8H2,1H3,(H,15,17)
InChIKeyPJRLWHDKQHZNMP-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110795037
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 47044607
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110743024
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110284922
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110285051
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 110641097
N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
CID 18117805
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796048
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 110317408
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
N-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110796248

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide (CID 110743046) is N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide is Cc1nc(CCNC(=O)c2ccc3c(c2)OCO3)co1.
What is the InChIKey of N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is PJRLWHDKQHZNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-16-11(7-18-9)4-5-15-14(17)10-2-3-12-13(6-10)20-8-19-12/h2-3,6-7H,4-5,8H2,1H3,(H,15,17).
What are the key properties of N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110743046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).