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

C14H17N3O3 — CID 108879137

IUPAC1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NCOc2ccc(C)c(C)c2)no1
InChIInChI=1S/C14H17N3O3/c1-9-4-5-12(6-10(9)2)19-8-15-14(18)16-13-7-11(3)20-17-13/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyHEFTZUVGXISZFM-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.76
Rot. Bonds4

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

1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 108879137) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID108879137
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NCOc2ccc(C)c(C)c2)no1
InChIInChI=1S/C14H17N3O3/c1-9-4-5-12(6-10(9)2)19-8-15-14(18)16-13-7-11(3)20-17-13/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyHEFTZUVGXISZFM-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-dimethylphenoxy)methyl]-3-pyridin-2-ylurea
CID 108879154
1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 108879152
1-[(3,4-dimethylphenoxy)methyl]-3-pyrimidin-2-ylurea
CID 108879109
1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108879253
1-[(3,4-dimethylphenoxy)methyl]-3-naphthalen-1-ylurea
CID 108879176
1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 112972181
1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112
2-[4-[(3,4-dimethylphenoxy)methylcarbamoylamino]phenyl]acetic acid
CID 108879120
ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate
CID 108812202
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenoxy)methyl]urea
CID 108878981
1-[(3,4-dimethylphenoxy)methyl]-3-(3-methoxypropyl)urea
CID 108879016
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 108879137) is 1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)NCOc2ccc(C)c(C)c2)no1.
What is the InChIKey of 1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is HEFTZUVGXISZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-4-5-12(6-10(9)2)19-8-15-14(18)16-13-7-11(3)20-17-13/h4-7H,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 275.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 108879137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).