N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C14H14N2O3 — CID 51098079

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1noc(C)c1NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C14H14N2O3/c1-8-13(9(2)19-16-8)15-14(17)12-7-10-5-3-4-6-11(10)18-12/h3-6,12H,7H2,1-2H3,(H,15,17)
InChIKeyZNPICCMWACOCRT-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.23
Rot. Bonds2

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 51098079) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID51098079
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1noc(C)c1NC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C14H14N2O3/c1-8-13(9(2)19-16-8)15-14(17)12-7-10-5-3-4-6-11(10)18-12/h3-6,12H,7H2,1-2H3,(H,15,17)
InChIKeyZNPICCMWACOCRT-UHFFFAOYSA-N
XLogP2.23
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26690824
N-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698841
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
[5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate
CID 175366135
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 51098079) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1noc(C)c1NC(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ZNPICCMWACOCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-13(9(2)19-16-8)15-14(17)12-7-10-5-3-4-6-11(10)18-12/h3-6,12H,7H2,1-2H3,(H,15,17).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51098079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).