N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]thiophene-2-carboxamide

C18H16N2O3S — CID 45497761

IUPACN-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]thiophene-2-carboxamide
SMILESCC1Cc2cc(-c3cc(CNC(=O)c4cccs4)no3)ccc2O1
InChIInChI=1S/C18H16N2O3S/c1-11-7-13-8-12(4-5-15(13)22-11)16-9-14(20-23-16)10-19-18(21)17-3-2-6-24-17/h2-6,8-9,11H,7,10H2,1H3,(H,19,21)
InChIKeyLMDQBJWLOCNQDJ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.66
Rot. Bonds4

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

N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 45497761) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]thiophene-2-carboxamide
PubChem CID45497761
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]thiophene-2-carboxamide
SMILESCC1Cc2cc(-c3cc(CNC(=O)c4cccs4)no3)ccc2O1
InChIInChI=1S/C18H16N2O3S/c1-11-7-13-8-12(4-5-15(13)22-11)16-9-14(20-23-16)10-19-18(21)17-3-2-6-24-17/h2-6,8-9,11H,7,10H2,1H3,(H,19,21)
InChIKeyLMDQBJWLOCNQDJ-UHFFFAOYSA-N
XLogP3.66
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]thiophene-2-carboxamide (CID 45497761) is N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]thiophene-2-carboxamide is CC1Cc2cc(-c3cc(CNC(=O)c4cccs4)no3)ccc2O1.
What is the InChIKey of N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is LMDQBJWLOCNQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-11-7-13-8-12(4-5-15(13)22-11)16-9-14(20-23-16)10-19-18(21)17-3-2-6-24-17/h2-6,8-9,11H,7,10H2,1H3,(H,19,21).
What are the key properties of N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]thiophene-2-carboxamide?
N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 45497761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).