1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea

C24H24N4O2 — CID 7693886

IUPAC1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H24N4O2/c1-24(2,3)28(16-21-26-22(27-30-21)18-11-5-4-6-12-18)23(29)25-20-15-9-13-17-10-7-8-14-19(17)20/h4-15H,16H2,1-3H3,(H,25,29)
InChIKeyHBRRUBPOUDFKEU-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.72
Rot. Bonds4

About 1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea

1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 7693886) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
PubChem CID7693886
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H24N4O2/c1-24(2,3)28(16-21-26-22(27-30-21)18-11-5-4-6-12-18)23(29)25-20-15-9-13-17-10-7-8-14-19(17)20/h4-15H,16H2,1-3H3,(H,25,29)
InChIKeyHBRRUBPOUDFKEU-UHFFFAOYSA-N
XLogP5.72
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874661
5-bromo-N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
CID 8875029
(2S)-N-tert-butyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 40963684
N-tert-butyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 6485271
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide
CID 8836130
1-cyclohexyl-3-(2-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 7356916
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 38141616
3-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 61010785
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 17499316
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 46660411
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
CID 38886258
3-tert-butyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-prop-2-enylurea
CID 6462165

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The IUPAC name of 1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 7693886) is 1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The canonical SMILES for 1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea is CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The InChIKey is HBRRUBPOUDFKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-24(2,3)28(16-21-26-22(27-30-21)18-11-5-4-6-12-18)23(29)25-20-15-9-13-17-10-7-8-14-19(17)20/h4-15H,16H2,1-3H3,(H,25,29).
What are the key properties of 1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea?
1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 400.48 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-naphthalen-1-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 7693886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).