N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide

C18H18N4O5 — CID 118608782

About N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide

N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 118608782) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 118608782
• Molecular Formula: C18H18N4O5
• Molecular Weight: 370.37 g/mol
• Exact Mass: 370.13
• IUPAC Name: N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
• SMILES: C[C@@H](O)c1nnc(C2CC(NC(=O)c3cc(-c4cccc(O)c4)on3)C2)o1
• InChI: InChI=1S/C18H18N4O5/c1-9(23)17-20-21-18(26-17)11-5-12(6-11)19-16(25)14-8-15(27-22-14)10-3-2-4-13(24)7-10/h2-4,7-9,11-12,23-24H,5-6H2,1H3,(H,19,25)/t9-,11?,12?/m1/s1
• InChIKey: ZIGJDDAXNUBTLT-OIKLOGQESA-N
• XLogP: 2.16
• TPSA: 134.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.37
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 118608782) is N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is C[C@@H](O)c1nnc(C2CC(NC(=O)c3cc(-c4cccc(O)c4)on3)C2)o1.

What is the InChIKey of N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?

The InChIKey is ZIGJDDAXNUBTLT-OIKLOGQESA-N. The full InChI is InChI=1S/C18H18N4O5/c1-9(23)17-20-21-18(26-17)11-5-12(6-11)19-16(25)14-8-15(27-22-14)10-3-2-4-13(24)7-10/h2-4,7-9,11-12,23-24H,5-6H2,1H3,(H,19,25)/t9-,11?,12?/m1/s1.

What are the key properties of N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?

N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118608782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).