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

C22H25N3O3 — CID 44565773

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea
SMILESCc1c(NC(=O)Nc2cc(C(C)(C)C)on2)ccc(Oc2ccccc2)c1C
InChIInChI=1S/C22H25N3O3/c1-14-15(2)18(27-16-9-7-6-8-10-16)12-11-17(14)23-21(26)24-20-13-19(28-25-20)22(3,4)5/h6-13H,1-5H3,(H2,23,24,25,26)
InChIKeyPQKMOJLRNGNVBB-UHFFFAOYSA-N
MW379.46 g/mol
LogP6.03
Rot. Bonds4

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

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea (PubChem CID 44565773) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea
PubChem CID44565773
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea
SMILESCc1c(NC(=O)Nc2cc(C(C)(C)C)on2)ccc(Oc2ccccc2)c1C
InChIInChI=1S/C22H25N3O3/c1-14-15(2)18(27-16-9-7-6-8-10-16)12-11-17(14)23-21(26)24-20-13-19(28-25-20)22(3,4)5/h6-13H,1-5H3,(H2,23,24,25,26)
InChIKeyPQKMOJLRNGNVBB-UHFFFAOYSA-N
XLogP6.03
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea
CID 17378544
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
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-chloroethoxy)naphthalen-1-yl]urea
CID 59380902
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-fluorophenyl)urea
CID 17380662
1-(4-bromo-2-methylphenyl)-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 108812421
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea
CID 108812308
3-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 108812205
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)methyl]urea
CID 108812444
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-phenylbenzamide
CID 46883422

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea (CID 44565773) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea is Cc1c(NC(=O)Nc2cc(C(C)(C)C)on2)ccc(Oc2ccccc2)c1C.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea?
The InChIKey is PQKMOJLRNGNVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-15(2)18(27-16-9-7-6-8-10-16)12-11-17(14)23-21(26)24-20-13-19(28-25-20)22(3,4)5/h6-13H,1-5H3,(H2,23,24,25,26).
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea has a molecular weight of 379.46 g/mol, XLogP of 6.03, 4 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-(2,3-dimethyl-4-phenoxyphenyl)urea is sourced from PubChem (CID 44565773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).