3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

C15H17F2N3O3 — CID 87003197

IUPAC3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NCc2ccccc2OC(F)F)no1
InChIInChI=1S/C15H17F2N3O3/c1-10-7-12(19-23-10)9-20(2)15(21)18-8-11-5-3-4-6-13(11)22-14(16)17/h3-7,14H,8-9H2,1-2H3,(H,18,21)
InChIKeyOGGDMDVNRUXGTP-UHFFFAOYSA-N
MW325.31 g/mol
LogP2.93
Rot. Bonds6

About 3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 87003197) has the molecular formula C15H17F2N3O3 and a molecular weight of 325.31 g/mol. Its IUPAC name is 3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID87003197
Molecular FormulaC15H17F2N3O3
Molecular Weight325.31 g/mol
Exact Mass325.12
IUPAC Name3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NCc2ccccc2OC(F)F)no1
InChIInChI=1S/C15H17F2N3O3/c1-10-7-12(19-23-10)9-20(2)15(21)18-8-11-5-3-4-6-13(11)22-14(16)17/h3-7,14H,8-9H2,1-2H3,(H,18,21)
InChIKeyOGGDMDVNRUXGTP-UHFFFAOYSA-N
XLogP2.93
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea with MolForge

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Related Compounds

methyl 5-[[[2-(difluoromethoxy)phenyl]methylcarbamoyl-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 55502317
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CID 86929112
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CID 87004226
(2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 38303758
3-(2-bromoprop-2-enyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47442443
3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95598545
2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid
CID 115923697
2,3-dimethoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 38872569
3-(3,4-difluorophenyl)-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47194688
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47760357
N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118790819
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 87003197) is 3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is Cc1cc(CN(C)C(=O)NCc2ccccc2OC(F)F)no1.
What is the InChIKey of 3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is OGGDMDVNRUXGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3/c1-10-7-12(19-23-10)9-20(2)15(21)18-8-11-5-3-4-6-13(11)22-14(16)17/h3-7,14H,8-9H2,1-2H3,(H,18,21).
What are the key properties of 3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 325.31 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 87003197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).