1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one

C26H34N6O3 — CID 155562012

IUPAC1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one
SMILESCC(CCOc1ccc(-c2noc(C(C)(C)C)n2)cc1)CCN1CCN(c2ccnc(N)c2)C1=O
InChIInChI=1S/C26H34N6O3/c1-18(10-13-31-14-15-32(25(31)33)20-9-12-28-22(27)17-20)11-16-34-21-7-5-19(6-8-21)23-29-24(35-30-23)26(2,3)4/h5-9,12,17-18H,10-11,13-16H2,1-4H3,(H2,27,28)
InChIKeyWAZXZJLAMBQSNG-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.75
Rot. Bonds9

About 1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one

1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one (PubChem CID 155562012) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one
PubChem CID155562012
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Name1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one
SMILESCC(CCOc1ccc(-c2noc(C(C)(C)C)n2)cc1)CCN1CCN(c2ccnc(N)c2)C1=O
InChIInChI=1S/C26H34N6O3/c1-18(10-13-31-14-15-32(25(31)33)20-9-12-28-22(27)17-20)11-16-34-21-7-5-19(6-8-21)23-29-24(35-30-23)26(2,3)4/h5-9,12,17-18H,10-11,13-16H2,1-4H3,(H2,27,28)
InChIKeyWAZXZJLAMBQSNG-UHFFFAOYSA-N
XLogP4.75
TPSA110.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one?
The IUPAC name of 1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one (CID 155562012) is 1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one is CC(CCOc1ccc(-c2noc(C(C)(C)C)n2)cc1)CCN1CCN(c2ccnc(N)c2)C1=O.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one?
The InChIKey is WAZXZJLAMBQSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-18(10-13-31-14-15-32(25(31)33)20-9-12-28-22(27)17-20)11-16-34-21-7-5-19(6-8-21)23-29-24(35-30-23)26(2,3)4/h5-9,12,17-18H,10-11,13-16H2,1-4H3,(H2,27,28).
What are the key properties of 1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one?
1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one has a molecular weight of 478.60 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-3-[5-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-methylpentyl]imidazolidin-2-one is sourced from PubChem (CID 155562012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).