3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea

C24H25N5O3 — CID 58344524

IUPAC3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N(C)C)no2)cc1C#N
InChIInChI=1S/C24H25N5O3/c1-14(2)31-21-11-8-15(12-16(21)13-25)23-27-22(28-32-23)19-7-5-6-18-17(19)9-10-20(18)26-24(30)29(3)4/h5-8,11-12,14,20H,9-10H2,1-4H3,(H,26,30)/t20-/m0/s1
InChIKeyIHENENYJVKKPIF-FQEVSTJZSA-N
MW431.50 g/mol
LogP4.32
Rot. Bonds5

About 3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea

3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea (PubChem CID 58344524) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea
PubChem CID58344524
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N(C)C)no2)cc1C#N
InChIInChI=1S/C24H25N5O3/c1-14(2)31-21-11-8-15(12-16(21)13-25)23-27-22(28-32-23)19-7-5-6-18-17(19)9-10-20(18)26-24(30)29(3)4/h5-8,11-12,14,20H,9-10H2,1-4H3,(H,26,30)/t20-/m0/s1
InChIKeyIHENENYJVKKPIF-FQEVSTJZSA-N
XLogP4.32
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea?
The IUPAC name of 3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea (CID 58344524) is 3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N(C)C)no2)cc1C#N.
What is the InChIKey of 3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea?
The InChIKey is IHENENYJVKKPIF-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-14(2)31-21-11-8-15(12-16(21)13-25)23-27-22(28-32-23)19-7-5-6-18-17(19)9-10-20(18)26-24(30)29(3)4/h5-8,11-12,14,20H,9-10H2,1-4H3,(H,26,30)/t20-/m0/s1.
What are the key properties of 3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea?
3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea has a molecular weight of 431.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,1-dimethylurea is sourced from PubChem (CID 58344524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).