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

C16H21N3O2 — CID 143052561

IUPAC1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C16H21N3O2/c1-5-11-6-8-12(9-7-11)17-15(20)18-14-10-13(19-21-14)16(2,3)4/h6-10H,5H2,1-4H3,(H2,17,18,20)
InChIKeyKEJAHNKCQYDWIQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.18
Rot. Bonds3

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

1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea (PubChem CID 143052561) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea
PubChem CID143052561
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C16H21N3O2/c1-5-11-6-8-12(9-7-11)17-15(20)18-14-10-13(19-21-14)16(2,3)4/h6-10H,5H2,1-4H3,(H2,17,18,20)
InChIKeyKEJAHNKCQYDWIQ-UHFFFAOYSA-N
XLogP4.18
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.18
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-tert-butylphenyl)urea
CID 59380959
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)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8794463
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
CID 170059357
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 59420457
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea
CID 143051913
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-ethylbenzamide
CID 11441130
2-[4-[4-[(3-tert-butyl-1,2-oxazol-5-yl)carbamoylamino]phenoxy]-2-pyridinyl]acetamide
CID 67183958
4-(bromomethyl)-N-(3-tert-butyl-1,2-oxazol-5-yl)benzamide
CID 102851049
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7603982

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea?
The IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea (CID 143052561) is 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea is CCc1ccc(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-ethylphenyl)urea?
The InChIKey is KEJAHNKCQYDWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-11-6-8-12(9-7-11)17-15(20)18-14-10-13(19-21-14)16(2,3)4/h6-10H,5H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea?
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea has a molecular weight of 287.36 g/mol, XLogP of 4.18, 3 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-ethylphenyl)urea is sourced from PubChem (CID 143052561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).