N-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide

C21H14N4O3S — CID 97446542

IUPACN-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cnc(-c2noc3cc(-c4ccncc4)ccc23)s1
InChIInChI=1S/C21H14N4O3S/c26-20(23-11-15-2-1-9-27-15)18-12-24-21(29-18)19-16-4-3-14(10-17(16)28-25-19)13-5-7-22-8-6-13/h1-10,12H,11H2,(H,23,26)
InChIKeyRGHIPWLKEHVWRK-UHFFFAOYSA-N
MW402.44 g/mol
LogP4.54
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide

N-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 97446542) has the molecular formula C21H14N4O3S and a molecular weight of 402.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID97446542
Molecular FormulaC21H14N4O3S
Molecular Weight402.44 g/mol
Exact Mass402.08
IUPAC NameN-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cnc(-c2noc3cc(-c4ccncc4)ccc23)s1
InChIInChI=1S/C21H14N4O3S/c26-20(23-11-15-2-1-9-27-15)18-12-24-21(29-18)19-16-4-3-14(10-17(16)28-25-19)13-5-7-22-8-6-13/h1-10,12H,11H2,(H,23,26)
InChIKeyRGHIPWLKEHVWRK-UHFFFAOYSA-N
XLogP4.54
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1243722
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]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 97446673
N-[(5-methylfuran-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155847549
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
6-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17538461
6-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19616047
N-[3-[[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carbonyl]amino]propyl]pyridine-4-carboxamide
CID 68406383
2-[1-[3-[2-[(6-Propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
CID 69436822
4-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine-6-carboxamide
CID 123189428
6-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine-4-carboxamide
CID 123214241
6-Pyridin-2-yl-4-(2-pyridin-3-yl-1,3-thiazol-5-yl)furo[3,2-c]pyridine
CID 123231288

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide (CID 97446542) is N-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide is O=C(NCc1ccco1)c1cnc(-c2noc3cc(-c4ccncc4)ccc23)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is RGHIPWLKEHVWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O3S/c26-20(23-11-15-2-1-9-27-15)18-12-24-21(29-18)19-16-4-3-14(10-17(16)28-25-19)13-5-7-22-8-6-13/h1-10,12H,11H2,(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
N-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 402.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(6-pyridin-4-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97446542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).