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

C18H25N3O4 — CID 167785125

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
SMILESCOc1ccc(CNC(=O)NCC(C)c2c(C)noc2C)cc1OC
InChIInChI=1S/C18H25N3O4/c1-11(17-12(2)21-25-13(17)3)9-19-18(22)20-10-14-6-7-15(23-4)16(8-14)24-5/h6-8,11H,9-10H2,1-5H3,(H2,19,20,22)
InChIKeyWJOAVFLYBVWEKV-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.91
Rot. Bonds7

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

1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea (PubChem CID 167785125) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
PubChem CID167785125
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
SMILESCOc1ccc(CNC(=O)NCC(C)c2c(C)noc2C)cc1OC
InChIInChI=1S/C18H25N3O4/c1-11(17-12(2)21-25-13(17)3)9-19-18(22)20-10-14-6-7-15(23-4)16(8-14)24-5/h6-8,11H,9-10H2,1-5H3,(H2,19,20,22)
InChIKeyWJOAVFLYBVWEKV-UHFFFAOYSA-N
XLogP2.91
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea with MolForge

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Related Compounds

1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850580
1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 52793572
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9269043
3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66167353
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-methylpentyl)urea
CID 38221992
1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 72717760
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 46470607
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbutanamide
CID 80542148
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682584

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea (CID 167785125) is 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea is COc1ccc(CNC(=O)NCC(C)c2c(C)noc2C)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea?
The InChIKey is WJOAVFLYBVWEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-11(17-12(2)21-25-13(17)3)9-19-18(22)20-10-14-6-7-15(23-4)16(8-14)24-5/h6-8,11H,9-10H2,1-5H3,(H2,19,20,22).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea?
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea has a molecular weight of 347.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea is sourced from PubChem (CID 167785125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).