3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea

C16H21N3O3 — CID 59381113

IUPAC3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea
SMILESCOc1ccc(N(C)C(=O)Nc2cc(C(C)(C)C)on2)cc1
InChIInChI=1S/C16H21N3O3/c1-16(2,3)13-10-14(18-22-13)17-15(20)19(4)11-6-8-12(21-5)9-7-11/h6-10H,1-5H3,(H,17,18,20)
InChIKeyDVMJKXQMLRXYRD-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.65
Rot. Bonds3

About 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea

3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea (PubChem CID 59381113) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea
PubChem CID59381113
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea
SMILESCOc1ccc(N(C)C(=O)Nc2cc(C(C)(C)C)on2)cc1
InChIInChI=1S/C16H21N3O3/c1-16(2,3)13-10-14(18-22-13)17-15(20)19(4)11-6-8-12(21-5)9-7-11/h6-10H,1-5H3,(H,17,18,20)
InChIKeyDVMJKXQMLRXYRD-UHFFFAOYSA-N
XLogP3.65
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea
CID 59381112
3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea
CID 59380951
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 59662655
3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(1-ethoxy-2,2-dimethoxyethyl)-1-methylurea
CID 129088789
1-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methylurea
CID 69158874
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 59381091
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
bis(3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea);bis(1,1-dimethyl-3-(4-propan-2-ylphenyl)urea)
CID 67903624
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 17087461
methyl N-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylcarbamate
CID 22768158
methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate
CID 13489713

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea?
The IUPAC name of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea (CID 59381113) is 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea?
The canonical SMILES for 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea is COc1ccc(N(C)C(=O)Nc2cc(C(C)(C)C)on2)cc1.
What is the InChIKey of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea?
The InChIKey is DVMJKXQMLRXYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-16(2,3)13-10-14(18-22-13)17-15(20)19(4)11-6-8-12(21-5)9-7-11/h6-10H,1-5H3,(H,17,18,20).
What are the key properties of 3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea?
3-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-methoxyphenyl)-1-methylurea has a molecular weight of 303.36 g/mol, XLogP of 3.65, 3 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-(4-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 59381113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).