1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea

C19H27N3O4 — CID 51070084

IUPAC1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea
SMILESCOc1ccc(-c2cc(CN(C(=O)NC(C)C)C(C)C)no2)c(OC)c1
InChIInChI=1S/C19H27N3O4/c1-12(2)20-19(23)22(13(3)4)11-14-9-18(26-21-14)16-8-7-15(24-5)10-17(16)25-6/h7-10,12-13H,11H2,1-6H3,(H,20,23)
InChIKeyQSZPJYKLFOHNKL-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.69
Rot. Bonds7

About 1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea

1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea (PubChem CID 51070084) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea.

Molecular Properties

Compound Name1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea
PubChem CID51070084
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea
SMILESCOc1ccc(-c2cc(CN(C(=O)NC(C)C)C(C)C)no2)c(OC)c1
InChIInChI=1S/C19H27N3O4/c1-12(2)20-19(23)22(13(3)4)11-14-9-18(26-21-14)16-8-7-15(24-5)10-17(16)25-6/h7-10,12-13H,11H2,1-6H3,(H,20,23)
InChIKeyQSZPJYKLFOHNKL-UHFFFAOYSA-N
XLogP3.69
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 51070076
1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea
CID 42823019
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-methylacetamide
CID 42823000
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide
CID 51070384
N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070066
1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(3-methylphenyl)-1-propan-2-ylurea
CID 46111707
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-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-propan-2-ylacetamide
CID 16879102
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-methylbenzamide
CID 42823001
3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111732

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea?
The IUPAC name of 1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea (CID 51070084) is 1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea.
What is the SMILES notation for 1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea?
The canonical SMILES for 1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea is COc1ccc(-c2cc(CN(C(=O)NC(C)C)C(C)C)no2)c(OC)c1.
What is the InChIKey of 1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea?
The InChIKey is QSZPJYKLFOHNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-12(2)20-19(23)22(13(3)4)11-14-9-18(26-21-14)16-8-7-15(24-5)10-17(16)25-6/h7-10,12-13H,11H2,1-6H3,(H,20,23).
What are the key properties of 1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea?
1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea has a molecular weight of 361.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-di(propan-2-yl)urea is sourced from PubChem (CID 51070084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).