1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea

C18H25N3O2 — CID 108812470

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea
SMILESCC(C)(C)c1cc(NC(=O)NCCCCc2ccccc2)no1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)15-13-16(21-23-15)20-17(22)19-12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H2,19,20,21,22)
InChIKeyADYXTLHQJIOSEW-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.12
Rot. Bonds6

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea (PubChem CID 108812470) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea
PubChem CID108812470
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea
SMILESCC(C)(C)c1cc(NC(=O)NCCCCc2ccccc2)no1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)15-13-16(21-23-15)20-17(22)19-12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H2,19,20,21,22)
InChIKeyADYXTLHQJIOSEW-UHFFFAOYSA-N
XLogP4.12
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108812450
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(3-phenylpropylsulfonyl)propanamide
CID 59704004
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
4-[[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoic acid
CID 108812303
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)methyl]urea
CID 108812444
methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate
CID 13489713
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(furan-2-ylmethyl)urea
CID 108812279
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 978007
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]urea
CID 111474555
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
CID 58990227
CID 58990227

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea (CID 108812470) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea is CC(C)(C)c1cc(NC(=O)NCCCCc2ccccc2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea?
The InChIKey is ADYXTLHQJIOSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)15-13-16(21-23-15)20-17(22)19-12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,13H,7-8,11-12H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea has a molecular weight of 315.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-phenylbutyl)urea is sourced from PubChem (CID 108812470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).