N-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide

C22H15N3O3S — CID 97446522

IUPACN-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cnc(-c2noc3cc(-c4ccccc4)ccc23)s1
InChIInChI=1S/C22H15N3O3S/c26-21(23-12-16-7-4-10-27-16)19-13-24-22(29-19)20-17-9-8-15(11-18(17)28-25-20)14-5-2-1-3-6-14/h1-11,13H,12H2,(H,23,26)
InChIKeyJGLRKEOGQVNTGZ-UHFFFAOYSA-N
MW401.45 g/mol
LogP5.14
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide

N-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 97446522) has the molecular formula C22H15N3O3S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID97446522
Molecular FormulaC22H15N3O3S
Molecular Weight401.45 g/mol
Exact Mass401.08
IUPAC NameN-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cnc(-c2noc3cc(-c4ccccc4)ccc23)s1
InChIInChI=1S/C22H15N3O3S/c26-21(23-12-16-7-4-10-27-16)19-13-24-22(29-19)20-17-9-8-15(11-18(17)28-25-20)14-5-2-1-3-6-14/h1-11,13H,12H2,(H,23,26)
InChIKeyJGLRKEOGQVNTGZ-UHFFFAOYSA-N
XLogP5.14
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazole-5-carboxamide
CID 97446659
N-[2-(dimethylamino)ethyl]-2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazole-5-carboxamide
CID 97446667
2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 97446668
2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-N-(2-methoxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 97446670
[2-[6-(4-Fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 97446672
[2-[6-(4-Fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 97446673
2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide
CID 97446680
2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-N-(1-hydroxybutan-2-yl)-1,3-thiazole-5-carboxamide
CID 134068770
N-[2-(dimethylamino)ethyl]-N-ethyl-2-[6-(4-methoxyphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155855741
N-(furan-2-ylmethyl)-2-[6-(4-methylpiperazin-1-yl)-1,2-benzoxazol-3-yl]-1,3-thiazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155856773
2-(1,2-benzoxazol-3-yl)-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 95043478
3-[6-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1,3-thiazol-2-yl)-5-thiophen-2-yl-2H-pyridin-2-yl]-1,2-oxazole
CID 141099800

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide (CID 97446522) is N-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide is O=C(NCc1ccco1)c1cnc(-c2noc3cc(-c4ccccc4)ccc23)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is JGLRKEOGQVNTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3S/c26-21(23-12-16-7-4-10-27-16)19-13-24-22(29-19)20-17-9-8-15(11-18(17)28-25-20)14-5-2-1-3-6-14/h1-11,13H,12H2,(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
N-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97446522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).