1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one

C18H22N4O3S — CID 24500362

IUPAC1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one
SMILESCC(Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)N1CCNC1=O
InChIInChI=1S/C18H22N4O3S/c1-11(15(23)22-10-9-19-16(22)24)26-17-21-20-14(25-17)12-5-7-13(8-6-12)18(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,19,24)
InChIKeyVCWKYHNWIGYYLJ-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.07
Rot. Bonds4

About 1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one

1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one (PubChem CID 24500362) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one
PubChem CID24500362
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one
SMILESCC(Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)N1CCNC1=O
InChIInChI=1S/C18H22N4O3S/c1-11(15(23)22-10-9-19-16(22)24)26-17-21-20-14(25-17)12-5-7-13(8-6-12)18(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,19,24)
InChIKeyVCWKYHNWIGYYLJ-UHFFFAOYSA-N
XLogP3.07
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one (CID 24500362) is 1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one is CC(Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one?
The InChIKey is VCWKYHNWIGYYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-11(15(23)22-10-9-19-16(22)24)26-17-21-20-14(25-17)12-5-7-13(8-6-12)18(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,19,24).
What are the key properties of 1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one?
1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one has a molecular weight of 374.47 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 24500362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).