1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea

C13H18N4O2S — CID 170059357

IUPAC1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
SMILESCCc1cnc(NC(=O)Nc2cc(C(C)(C)C)no2)s1
InChIInChI=1S/C13H18N4O2S/c1-5-8-7-14-12(20-8)16-11(18)15-10-6-9(17-19-10)13(2,3)4/h6-7H,5H2,1-4H3,(H2,14,15,16,18)
InChIKeyONVJDSORXGSSBC-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.63
Rot. Bonds3

About 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea

1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea (PubChem CID 170059357) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
PubChem CID170059357
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
SMILESCCc1cnc(NC(=O)Nc2cc(C(C)(C)C)no2)s1
InChIInChI=1S/C13H18N4O2S/c1-5-8-7-14-12(20-8)16-11(18)15-10-6-9(17-19-10)13(2,3)4/h6-7H,5H2,1-4H3,(H2,14,15,16,18)
InChIKeyONVJDSORXGSSBC-UHFFFAOYSA-N
XLogP3.63
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-ethylphenyl)urea
CID 143052561
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 119307130
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(4-tert-butylphenyl)urea
CID 59380959
3-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466444
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(2,4-dimethylphenyl)urea
CID 143051913
(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid
CID 104875003
1-[4-(6-amino-3-pyridinyl)phenyl]-3-(3-tert-butyl-1,2-oxazol-5-yl)urea
CID 51030162
(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 130680042
N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 166218577
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-(5-ethyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea (CID 170059357) is 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea is CCc1cnc(NC(=O)Nc2cc(C(C)(C)C)no2)s1.
What is the InChIKey of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea?
The InChIKey is ONVJDSORXGSSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-5-8-7-14-12(20-8)16-11(18)15-10-6-9(17-19-10)13(2,3)4/h6-7H,5H2,1-4H3,(H2,14,15,16,18).
What are the key properties of 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea?
1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea has a molecular weight of 294.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2-oxazol-5-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 170059357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).