N-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide

C20H17N3O3S — CID 97446371

IUPACN-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1
InChIInChI=1S/C20H17N3O3S/c24-19(21-13-4-1-2-5-13)12-7-8-16-14(10-12)18(23-26-16)15-11-25-20(22-15)17-6-3-9-27-17/h3,6-11,13H,1-2,4-5H2,(H,21,24)
InChIKeyDJGSINARWUFTGQ-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.88
Rot. Bonds4

About N-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide

N-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97446371) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
PubChem CID97446371
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1
InChIInChI=1S/C20H17N3O3S/c24-19(21-13-4-1-2-5-13)12-7-8-16-14(10-12)18(23-26-16)15-11-25-20(22-15)17-6-3-9-27-17/h3,6-11,13H,1-2,4-5H2,(H,21,24)
InChIKeyDJGSINARWUFTGQ-UHFFFAOYSA-N
XLogP4.88
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (CID 97446371) is N-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is O=C(NC1CCCC1)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1.
What is the InChIKey of N-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is DJGSINARWUFTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c24-19(21-13-4-1-2-5-13)12-7-8-16-14(10-12)18(23-26-16)15-11-25-20(22-15)17-6-3-9-27-17/h3,6-11,13H,1-2,4-5H2,(H,21,24).
What are the key properties of N-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
N-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).