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

C18H25N3O2 — CID 59380959

IUPAC1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea
SMILESCC(C)(C)c1ccc(NC(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C18H25N3O2/c1-17(2,3)12-7-9-13(10-8-12)19-16(22)20-15-11-14(21-23-15)18(4,5)6/h7-11H,1-6H3,(H2,19,20,22)
InChIKeyJRWWQNVINJYCFR-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.91
Rot. Bonds2

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

1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea (PubChem CID 59380959) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea
PubChem CID59380959
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea
SMILESCC(C)(C)c1ccc(NC(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C18H25N3O2/c1-17(2,3)12-7-9-13(10-8-12)19-16(22)20-15-11-14(21-23-15)18(4,5)6/h7-11H,1-6H3,(H2,19,20,22)
InChIKeyJRWWQNVINJYCFR-UHFFFAOYSA-N
XLogP4.91
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea
CID 143052561
1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea
CID 51030162
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea
CID 143051913
2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide
CID 67183958
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7603982
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
CID 170059357
4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide
CID 102851049
1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108884862
1-(4-tert-butylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871893
1-[4-[4-amino-6-(1-hydroxyethyl)-6,7-dihydropyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea
CID 70993574
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea?
The IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea (CID 59380959) is 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea.
What is the SMILES notation for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea?
The canonical SMILES for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea is CC(C)(C)c1ccc(NC(=O)Nc2cc(C(C)(C)C)no2)cc1.
What is the InChIKey of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea?
The InChIKey is JRWWQNVINJYCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-17(2,3)12-7-9-13(10-8-12)19-16(22)20-15-11-14(21-23-15)18(4,5)6/h7-11H,1-6H3,(H2,19,20,22).
What are the key properties of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea?
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea has a molecular weight of 315.42 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea is sourced from PubChem (CID 59380959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).