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

C18H15N3O3S — CID 97446372

IUPACN-propyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1
InChIInChI=1S/C18H15N3O3S/c1-2-7-19-17(22)11-5-6-14-12(9-11)16(21-24-14)13-10-23-18(20-13)15-4-3-8-25-15/h3-6,8-10H,2,7H2,1H3,(H,19,22)
InChIKeyIASHXWFUQGQYPD-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.35
Rot. Bonds5

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

N-propyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97446372) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-propyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-propyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
PubChem CID97446372
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-propyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1
InChIInChI=1S/C18H15N3O3S/c1-2-7-19-17(22)11-5-6-14-12(9-11)16(21-24-14)13-10-23-18(20-13)15-4-3-8-25-15/h3-6,8-10H,2,7H2,1H3,(H,19,22)
InChIKeyIASHXWFUQGQYPD-UHFFFAOYSA-N
XLogP4.35
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N-propyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (CID 97446372) is N-propyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N-propyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N-propyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is CCCNC(=O)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1.
What is the InChIKey of N-propyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is IASHXWFUQGQYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-2-7-19-17(22)11-5-6-14-12(9-11)16(21-24-14)13-10-23-18(20-13)15-4-3-8-25-15/h3-6,8-10H,2,7H2,1H3,(H,19,22).
What are the key properties of N-propyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
N-propyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).