3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide

C20H16N4O3 — CID 97446299

IUPAC3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc2onc(-c3coc(C4CC4)n3)c2c1
InChIInChI=1S/C20H16N4O3/c25-19(22-10-12-2-1-7-21-9-12)14-5-6-17-15(8-14)18(24-27-17)16-11-26-20(23-16)13-3-4-13/h1-2,5-9,11,13H,3-4,10H2,(H,22,25)
InChIKeyKWSNIZFUHWYIEX-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.69
Rot. Bonds5

About 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide

3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97446299) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
PubChem CID97446299
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc2onc(-c3coc(C4CC4)n3)c2c1
InChIInChI=1S/C20H16N4O3/c25-19(22-10-12-2-1-7-21-9-12)14-5-6-17-15(8-14)18(24-27-17)16-11-26-20(23-16)13-3-4-13/h1-2,5-9,11,13H,3-4,10H2,(H,22,25)
InChIKeyKWSNIZFUHWYIEX-UHFFFAOYSA-N
XLogP3.69
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97443263
N-benzyl-3-(2-phenyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446275
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 50767461
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
2-chloro-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787087
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 71429790
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175
2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
CID 53160968
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 43044153

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide (CID 97446299) is 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide is O=C(NCc1cccnc1)c1ccc2onc(-c3coc(C4CC4)n3)c2c1.
What is the InChIKey of 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is KWSNIZFUHWYIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-19(22-10-12-2-1-7-21-9-12)14-5-6-17-15(8-14)18(24-27-17)16-11-26-20(23-16)13-3-4-13/h1-2,5-9,11,13H,3-4,10H2,(H,22,25).
What are the key properties of 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide?
3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).