N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide

C18H14N2O5 — CID 110681249

IUPACN-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCn1oc(=O)c(C(=O)Nc2ccc3c(c2)OCO3)c1-c1ccccc1
InChIInChI=1S/C18H14N2O5/c1-20-16(11-5-3-2-4-6-11)15(18(22)25-20)17(21)19-12-7-8-13-14(9-12)24-10-23-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyMTALZSCLFSIDFT-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.63
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide

N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 110681249) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID110681249
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCn1oc(=O)c(C(=O)Nc2ccc3c(c2)OCO3)c1-c1ccccc1
InChIInChI=1S/C18H14N2O5/c1-20-16(11-5-3-2-4-6-11)15(18(22)25-20)17(21)19-12-7-8-13-14(9-12)24-10-23-13/h2-9H,10H2,1H3,(H,19,21)
InChIKeyMTALZSCLFSIDFT-UHFFFAOYSA-N
XLogP2.63
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-oxo-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 110681206
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CID 110681217
N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide
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CID 112759099
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N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide
CID 110426304
N-(1,3-benzodioxol-5-yl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2540316
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
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N-(1,3-benzodioxol-5-yl)-1-benzyl-3,5-dimethylpyrazole-4-carboxamide
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N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide
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CID 6470985
N-(1,3-benzodioxol-5-yl)-5-phenyl-1,3-thiazole-4-carboxamide
CID 110650976

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide (CID 110681249) is N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide is Cn1oc(=O)c(C(=O)Nc2ccc3c(c2)OCO3)c1-c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is MTALZSCLFSIDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-20-16(11-5-3-2-4-6-11)15(18(22)25-20)17(21)19-12-7-8-13-14(9-12)24-10-23-13/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 338.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110681249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).