3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one

C17H20N4O3 — CID 99698649

IUPAC3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(N2CCOC2=O)cc1NCc1nnc(C2CCC2)o1
InChIInChI=1S/C17H20N4O3/c1-11-5-6-13(21-7-8-23-17(21)22)9-14(11)18-10-15-19-20-16(24-15)12-3-2-4-12/h5-6,9,12,18H,2-4,7-8,10H2,1H3
InChIKeySEHHUQOPXDDQRG-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.21
Rot. Bonds5

About 3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one

3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one (PubChem CID 99698649) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one
PubChem CID99698649
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(N2CCOC2=O)cc1NCc1nnc(C2CCC2)o1
InChIInChI=1S/C17H20N4O3/c1-11-5-6-13(21-7-8-23-17(21)22)9-14(11)18-10-15-19-20-16(24-15)12-3-2-4-12/h5-6,9,12,18H,2-4,7-8,10H2,1H3
InChIKeySEHHUQOPXDDQRG-UHFFFAOYSA-N
XLogP3.21
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one (CID 99698649) is 3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one is Cc1ccc(N2CCOC2=O)cc1NCc1nnc(C2CCC2)o1.
What is the InChIKey of 3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one?
The InChIKey is SEHHUQOPXDDQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-5-6-13(21-7-8-23-17(21)22)9-14(11)18-10-15-19-20-16(24-15)12-3-2-4-12/h5-6,9,12,18H,2-4,7-8,10H2,1H3.
What are the key properties of 3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one?
3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one has a molecular weight of 328.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methylamino]-4-methylphenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 99698649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).