3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea

C17H23N3O3 — CID 59380951

IUPAC3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1cccc(CN(C)C(=O)Nc2cc(C(C)(C)C)on2)c1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)14-10-15(19-23-14)18-16(21)20(4)11-12-7-6-8-13(9-12)22-5/h6-10H,11H2,1-5H3,(H,18,19,21)
InChIKeyWBUUVAWESUFVTJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.64
Rot. Bonds4

About 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea

3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea (PubChem CID 59380951) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea
PubChem CID59380951
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1cccc(CN(C)C(=O)Nc2cc(C(C)(C)C)on2)c1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)14-10-15(19-23-14)18-16(21)20(4)11-12-7-6-8-13(9-12)22-5/h6-10H,11H2,1-5H3,(H,18,19,21)
InChIKeyWBUUVAWESUFVTJ-UHFFFAOYSA-N
XLogP3.64
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea
CID 59381113
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3-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea
CID 55695378
2-[4-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55476132
1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 87044605
(2R)-2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009414
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929069
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 100746776
3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea
CID 129088789
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 17087461
O-(4-tert-butylphenyl) N-[(3-methoxyphenyl)methyl]-N-methylcarbamothioate
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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea (CID 59380951) is 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea is COc1cccc(CN(C)C(=O)Nc2cc(C(C)(C)C)on2)c1.
What is the InChIKey of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is WBUUVAWESUFVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)14-10-15(19-23-14)18-16(21)20(4)11-12-7-6-8-13(9-12)22-5/h6-10H,11H2,1-5H3,(H,18,19,21).
What are the key properties of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea?
3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 317.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 59380951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).