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

C15H19N3O4 — CID 52793572

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
SMILESCOc1ccc(CNC(=O)Nc2c(C)noc2C)cc1OC
InChIInChI=1S/C15H19N3O4/c1-9-14(10(2)22-18-9)17-15(19)16-8-11-5-6-12(20-3)13(7-11)21-4/h5-7H,8H2,1-4H3,(H2,16,17,19)
InChIKeyDNGASVPVPIRQTJ-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.63
Rot. Bonds5

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

1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea (PubChem CID 52793572) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
PubChem CID52793572
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
SMILESCOc1ccc(CNC(=O)Nc2c(C)noc2C)cc1OC
InChIInChI=1S/C15H19N3O4/c1-9-14(10(2)22-18-9)17-15(19)16-8-11-5-6-12(20-3)13(7-11)21-4/h5-7H,8H2,1-4H3,(H2,16,17,19)
InChIKeyDNGASVPVPIRQTJ-UHFFFAOYSA-N
XLogP2.63
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 52793571
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea
CID 75462467
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
CID 167785125
1-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 2738946
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dimethoxybenzamide
CID 51098103
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9269043
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 46470607
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea
CID 110492414
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682584
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea (CID 52793572) is 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea is COc1ccc(CNC(=O)Nc2c(C)noc2C)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?
The InChIKey is DNGASVPVPIRQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-9-14(10(2)22-18-9)17-15(19)16-8-11-5-6-12(20-3)13(7-11)21-4/h5-7H,8H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?
1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea has a molecular weight of 305.33 g/mol, XLogP of 2.63, 5 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-(3,5-dimethyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 52793572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).