1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea

C18H23N3O3 — CID 166236097

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(C3CCOC3)cc2)no1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)15-10-16(21-24-15)20-17(22)19-14-6-4-12(5-7-14)13-8-9-23-11-13/h4-7,10,13H,8-9,11H2,1-3H3,(H2,19,20,21,22)
InChIKeyXWYYQAXJPQALBN-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.12
Rot. Bonds3

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea (PubChem CID 166236097) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea
PubChem CID166236097
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(C3CCOC3)cc2)no1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)15-10-16(21-24-15)20-17(22)19-14-6-4-12(5-7-14)13-8-9-23-11-13/h4-7,10,13H,8-9,11H2,1-3H3,(H2,19,20,21,22)
InChIKeyXWYYQAXJPQALBN-UHFFFAOYSA-N
XLogP4.12
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
tert-butyl N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]carbamate
CID 59380976
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-prop-1-ynylphenyl)urea
CID 118669274
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 150862884
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylsulfinylphenyl)urea
CID 59380965
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea
CID 59381112
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422
4-methyl-4-[[4-(oxolan-3-yl)phenyl]carbamoylamino]pentanoic acid
CID 122094321
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
CID 46883461
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide
CID 59381180
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-difluorobenzamide
CID 59381141

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea (CID 166236097) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(C3CCOC3)cc2)no1.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea?
The InChIKey is XWYYQAXJPQALBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2,3)15-10-16(21-24-15)20-17(22)19-14-6-4-12(5-7-14)13-8-9-23-11-13/h4-7,10,13H,8-9,11H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea has a molecular weight of 329.40 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(oxolan-3-yl)phenyl]urea is sourced from PubChem (CID 166236097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).