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

C18H15N3O3S — CID 97446374

IUPACN-propan-2-yl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1
InChIInChI=1S/C18H15N3O3S/c1-10(2)19-17(22)11-5-6-14-12(8-11)16(21-24-14)13-9-23-18(20-13)15-4-3-7-25-15/h3-10H,1-2H3,(H,19,22)
InChIKeyWHPUPDMQSVTDOE-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.35
Rot. Bonds4

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

N-propan-2-yl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97446374) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-propan-2-yl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
PubChem CID97446374
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC NameN-propan-2-yl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1
InChIInChI=1S/C18H15N3O3S/c1-10(2)19-17(22)11-5-6-14-12(8-11)16(21-24-14)13-9-23-18(20-13)15-4-3-7-25-15/h3-10H,1-2H3,(H,19,22)
InChIKeyWHPUPDMQSVTDOE-UHFFFAOYSA-N
XLogP4.35
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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-propan-2-yl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N-propan-2-yl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide (CID 97446374) is N-propan-2-yl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N-propan-2-yl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is CC(C)NC(=O)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1.
What is the InChIKey of N-propan-2-yl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is WHPUPDMQSVTDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-10(2)19-17(22)11-5-6-14-12(8-11)16(21-24-14)13-9-23-18(20-13)15-4-3-7-25-15/h3-10H,1-2H3,(H,19,22).
What are the key properties of N-propan-2-yl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide?
N-propan-2-yl-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, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(2-thiophen-2-yl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).