5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

C15H13N3O3S — CID 24668656

IUPAC5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1cc(C2CC2)on1
InChIInChI=1S/C15H13N3O3S/c19-14(11-6-12(21-18-11)9-3-4-9)16-7-10-8-20-15(17-10)13-2-1-5-22-13/h1-2,5-6,8-9H,3-4,7H2,(H,16,19)
InChIKeyADTZTSQRSBEXCX-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.20
Rot. Bonds5

About 5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 24668656) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID24668656
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1coc(-c2cccs2)n1)c1cc(C2CC2)on1
InChIInChI=1S/C15H13N3O3S/c19-14(11-6-12(21-18-11)9-3-4-9)16-7-10-8-20-15(17-10)13-2-1-5-22-13/h1-2,5-6,8-9H,3-4,7H2,(H,16,19)
InChIKeyADTZTSQRSBEXCX-UHFFFAOYSA-N
XLogP3.20
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 24668656) is 5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is O=C(NCc1coc(-c2cccs2)n1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ADTZTSQRSBEXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-14(11-6-12(21-18-11)9-3-4-9)16-7-10-8-20-15(17-10)13-2-1-5-22-13/h1-2,5-6,8-9H,3-4,7H2,(H,16,19).
What are the key properties of 5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24668656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).