1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea

C15H17F2N3O3 — CID 75457913

IUPAC1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
SMILESCCc1noc(C)c1NC(=O)Nc1c(C)cccc1OC(F)F
InChIInChI=1S/C15H17F2N3O3/c1-4-10-13(9(3)23-20-10)19-15(21)18-12-8(2)6-5-7-11(12)22-14(16)17/h5-7,14H,4H2,1-3H3,(H2,18,19,21)
InChIKeyLDOMPNMFBBHGEP-UHFFFAOYSA-N
MW325.31 g/mol
LogP4.10
Rot. Bonds5

About 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea

1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea (PubChem CID 75457913) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.31 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
PubChem CID75457913
Molecular FormulaC15H17F2N3O3
Molecular Weight325.31 g/mol
Exact Mass325.12
IUPAC Name1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
SMILESCCc1noc(C)c1NC(=O)Nc1c(C)cccc1OC(F)F
InChIInChI=1S/C15H17F2N3O3/c1-4-10-13(9(3)23-20-10)19-15(21)18-12-8(2)6-5-7-11(12)22-14(16)17/h5-7,14H,4H2,1-3H3,(H2,18,19,21)
InChIKeyLDOMPNMFBBHGEP-UHFFFAOYSA-N
XLogP4.10
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111111724
(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride
CID 119312538
7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide
CID 119764624
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 56586698
3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790691
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 56557318
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[3-(4-fluorophenyl)sulfanylpropyl]urea
CID 56557413
1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 109397223
1-(2-cyclopropylpyrimidin-5-yl)-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 86792399
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 56557319
1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea
CID 56587117
(2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95281098

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea?
The IUPAC name of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea (CID 75457913) is 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea.
What is the SMILES notation for 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea?
The canonical SMILES for 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea is CCc1noc(C)c1NC(=O)Nc1c(C)cccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea?
The InChIKey is LDOMPNMFBBHGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3/c1-4-10-13(9(3)23-20-10)19-15(21)18-12-8(2)6-5-7-11(12)22-14(16)17/h5-7,14H,4H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea?
1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea has a molecular weight of 325.31 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-6-methylphenyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 75457913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).