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

C13H12N2O4 — CID 110660300

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc3c(c2)OCO3)o1
InChIInChI=1S/C13H12N2O4/c1-8-5-14-12(19-8)6-15-13(16)9-2-3-10-11(4-9)18-7-17-10/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyCVDWOTMLBWEVRH-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.64
Rot. Bonds3

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110660300) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110660300
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc3c(c2)OCO3)o1
InChIInChI=1S/C13H12N2O4/c1-8-5-14-12(19-8)6-15-13(16)9-2-3-10-11(4-9)18-7-17-10/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyCVDWOTMLBWEVRH-UHFFFAOYSA-N
XLogP1.64
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794338
3-acetamido-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 110660302
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 47044607
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110642046
2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
CID 1294350
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 2231244
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17394593
N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42396037
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 107231683
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 19294800
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376120

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 110660300) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide is Cc1cnc(CNC(=O)c2ccc3c(c2)OCO3)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is CVDWOTMLBWEVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-5-14-12(19-8)6-15-13(16)9-2-3-10-11(4-9)18-7-17-10/h2-5H,6-7H2,1H3,(H,15,16).
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110660300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).