N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C20H12N4O3S — CID 46953067

IUPACN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ncoc1-c1cccs1
InChIInChI=1S/C20H12N4O3S/c25-19(17-18(26-11-22-17)16-4-2-8-28-16)23-13-5-6-15-14(9-13)24-20(27-15)12-3-1-7-21-10-12/h1-11H,(H,23,25)
InChIKeyQRAAPQSHWLNLOE-UHFFFAOYSA-N
MW388.41 g/mol
LogP4.86
Rot. Bonds4

About N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 46953067) has the molecular formula C20H12N4O3S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID46953067
Molecular FormulaC20H12N4O3S
Molecular Weight388.41 g/mol
Exact Mass388.06
IUPAC NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ncoc1-c1cccs1
InChIInChI=1S/C20H12N4O3S/c25-19(17-18(26-11-22-17)16-4-2-8-28-16)23-13-5-6-15-14(9-13)24-20(27-15)12-3-1-7-21-10-12/h1-11H,(H,23,25)
InChIKeyQRAAPQSHWLNLOE-UHFFFAOYSA-N
XLogP4.86
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 46953067) is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ncoc1-c1cccs1.
What is the InChIKey of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is QRAAPQSHWLNLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O3S/c25-19(17-18(26-11-22-17)16-4-2-8-28-16)23-13-5-6-15-14(9-13)24-20(27-15)12-3-1-7-21-10-12/h1-11H,(H,23,25).
What are the key properties of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 388.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46953067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).