N-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide

C23H16N2O3S — CID 42646156

IUPACN-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1oc(-c2cc3ccccc3s2)nc1Cc1ccccc1)c1ccco1
InChIInChI=1S/C23H16N2O3S/c26-21(18-10-6-12-27-18)25-22-17(13-15-7-2-1-3-8-15)24-23(28-22)20-14-16-9-4-5-11-19(16)29-20/h1-12,14H,13H2,(H,25,26)
InChIKeyCWAFEEWQHPFQFS-UHFFFAOYSA-N
MW400.46 g/mol
LogP5.99
Rot. Bonds5

About N-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide

N-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide (PubChem CID 42646156) has the molecular formula C23H16N2O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide
PubChem CID42646156
Molecular FormulaC23H16N2O3S
Molecular Weight400.46 g/mol
Exact Mass400.09
IUPAC NameN-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1oc(-c2cc3ccccc3s2)nc1Cc1ccccc1)c1ccco1
InChIInChI=1S/C23H16N2O3S/c26-21(18-10-6-12-27-18)25-22-17(13-15-7-2-1-3-8-15)24-23(28-22)20-14-16-9-4-5-11-19(16)29-20/h1-12,14H,13H2,(H,25,26)
InChIKeyCWAFEEWQHPFQFS-UHFFFAOYSA-N
XLogP5.99
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide
CID 51327730
1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione
CID 114910186
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 43836729
7-(1-benzothiophen-2-yl)-1H-isoindol-5-amine;N-[7-(1-benzothiophen-2-yl)-1H-isoindol-5-yl]furan-2-carboxamide
CID 160558098
N-[2-[[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 59023823
N-(4-oxo-6-phenyl-1,3-thiazin-2-yl)furan-2-carboxamide
CID 175842092
N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
CID 960347
N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127363
N-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide
CID 59024154
N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 42110858
4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 61406569
N-[2-(2-oxochromen-3-yl)-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 34924459

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide (CID 42646156) is N-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide is O=C(Nc1oc(-c2cc3ccccc3s2)nc1Cc1ccccc1)c1ccco1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide?
The InChIKey is CWAFEEWQHPFQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3S/c26-21(18-10-6-12-27-18)25-22-17(13-15-7-2-1-3-8-15)24-23(28-22)20-14-16-9-4-5-11-19(16)29-20/h1-12,14H,13H2,(H,25,26).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide?
N-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-yl)-4-benzyl-1,3-oxazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 42646156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).