1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea

C16H21N3O3 — CID 42823019

IUPAC1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILESCOc1cccc(-c2cc(CN(C)C(=O)NC(C)C)no2)c1
InChIInChI=1S/C16H21N3O3/c1-11(2)17-16(20)19(3)10-13-9-15(22-18-13)12-6-5-7-14(8-12)21-4/h5-9,11H,10H2,1-4H3,(H,17,20)
InChIKeyMZZSOLWUKYGECH-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.90
Rot. Bonds5

About 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea

1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea (PubChem CID 42823019) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea
PubChem CID42823019
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea
SMILESCOc1cccc(-c2cc(CN(C)C(=O)NC(C)C)no2)c1
InChIInChI=1S/C16H21N3O3/c1-11(2)17-16(20)19(3)10-13-9-15(22-18-13)12-6-5-7-14(8-12)21-4/h5-9,11H,10H2,1-4H3,(H,17,20)
InChIKeyMZZSOLWUKYGECH-UHFFFAOYSA-N
XLogP2.90
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea
CID 46111707
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 42823025
3-(2-fluorophenyl)-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-propan-2-ylurea
CID 46111712
2-(4-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylacetamide
CID 46111582
2-fluoro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46111583
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 51070477
1,1-diethyl-3-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]urea
CID 110314830
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 16878971
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515
N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070232
1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea
CID 51070084

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea?
The IUPAC name of 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea (CID 42823019) is 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea.
What is the SMILES notation for 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea?
The canonical SMILES for 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea is COc1cccc(-c2cc(CN(C)C(=O)NC(C)C)no2)c1.
What is the InChIKey of 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea?
The InChIKey is MZZSOLWUKYGECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(2)17-16(20)19(3)10-13-9-15(22-18-13)12-6-5-7-14(8-12)21-4/h5-9,11H,10H2,1-4H3,(H,17,20).
What are the key properties of 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea?
1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea has a molecular weight of 303.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea is sourced from PubChem (CID 42823019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).