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

C14H17N3O3 — CID 75462467

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1c(C)noc1C
InChIInChI=1S/C14H17N3O3/c1-9-13(10(2)20-17-9)16-14(18)15-8-11-6-4-5-7-12(11)19-3/h4-7H,8H2,1-3H3,(H2,15,16,18)
InChIKeySLZFKUJGEQHKSI-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.62
Rot. Bonds4

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

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 75462467) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea
PubChem CID75462467
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1c(C)noc1C
InChIInChI=1S/C14H17N3O3/c1-9-13(10(2)20-17-9)16-14(18)15-8-11-6-4-5-7-12(11)19-3/h4-7H,8H2,1-3H3,(H2,15,16,18)
InChIKeySLZFKUJGEQHKSI-UHFFFAOYSA-N
XLogP2.62
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 47480737
1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 52793572
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 52793571
1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897456
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 146080768
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylmethoxyethyl)urea
CID 71982689
N-[(2-methoxyphenyl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 18588609
N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110410122
1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897439
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea (CID 75462467) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)Nc1c(C)noc1C.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is SLZFKUJGEQHKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-13(10(2)20-17-9)16-14(18)15-8-11-6-4-5-7-12(11)19-3/h4-7H,8H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 275.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 75462467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).