N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C18H18N2O3S — CID 75371448

IUPACN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)C1CC2CCC1O2
InChIInChI=1S/C18H18N2O3S/c21-17(13-8-12-2-4-16(13)23-12)20-18-19-14(9-24-18)10-1-3-15-11(7-10)5-6-22-15/h1,3,7,9,12-13,16H,2,4-6,8H2,(H,19,20,21)
InChIKeyJXKWEFQPHKUTKC-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.25
Rot. Bonds3

About N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 75371448) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID75371448
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)C1CC2CCC1O2
InChIInChI=1S/C18H18N2O3S/c21-17(13-8-12-2-4-16(13)23-12)20-18-19-14(9-24-18)10-1-3-15-11(7-10)5-6-22-15/h1,3,7,9,12-13,16H,2,4-6,8H2,(H,19,20,21)
InChIKeyJXKWEFQPHKUTKC-UHFFFAOYSA-N
XLogP3.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 17394900
(3S)-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 30094809
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119699050
4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 38937157
1-(benzenesulfonyl)-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46680321
N-[4-(2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405651
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 5079800
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 55487502
2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide
CID 119699067
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanamide
CID 42930859
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569326
3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide
CID 35847762

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 75371448) is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)C1CC2CCC1O2.
What is the InChIKey of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is JXKWEFQPHKUTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-17(13-8-12-2-4-16(13)23-12)20-18-19-14(9-24-18)10-1-3-15-11(7-10)5-6-22-15/h1,3,7,9,12-13,16H,2,4-6,8H2,(H,19,20,21).
What are the key properties of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 75371448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).