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

C11H11F2N3O2S — CID 138027996

IUPAC1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylthiophen-3-yl)urea
SMILESCc1cscc1NC(=O)NCc1cc(C(F)F)on1
InChIInChI=1S/C11H11F2N3O2S/c1-6-4-19-5-8(6)15-11(17)14-3-7-2-9(10(12)13)18-16-7/h2,4-5,10H,3H2,1H3,(H2,14,15,17)
InChIKeyVHJFSZHPMYPZND-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.30
Rot. Bonds4

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

1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylthiophen-3-yl)urea (PubChem CID 138027996) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylthiophen-3-yl)urea.

Molecular Properties

Compound Name1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylthiophen-3-yl)urea
PubChem CID138027996
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC Name1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylthiophen-3-yl)urea
SMILESCc1cscc1NC(=O)NCc1cc(C(F)F)on1
InChIInChI=1S/C11H11F2N3O2S/c1-6-4-19-5-8(6)15-11(17)14-3-7-2-9(10(12)13)18-16-7/h2,4-5,10H,3H2,1H3,(H2,14,15,17)
InChIKeyVHJFSZHPMYPZND-UHFFFAOYSA-N
XLogP3.30
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea
CID 138025894
1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)urea
CID 138025706
1-methyl-3-(4-methylthiophen-3-yl)urea
CID 131044055
2-[5-(difluoromethyl)-1,2-oxazol-3-yl]acetic acid
CID 121256126
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
1-[2,6-dichloro-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 130290213
1-(5-methyl-2-methylsulfonylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47749223
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51093356
1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 110747513
1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 167862543
3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide
CID 130979130
1-(4-methylthiophen-3-yl)-3-(piperidin-3-ylmethyl)urea
CID 128753845

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylthiophen-3-yl)urea?
The IUPAC name of 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylthiophen-3-yl)urea (CID 138027996) is 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylthiophen-3-yl)urea.
What is the SMILES notation for 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylthiophen-3-yl)urea?
The canonical SMILES for 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylthiophen-3-yl)urea is Cc1cscc1NC(=O)NCc1cc(C(F)F)on1.
What is the InChIKey of 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylthiophen-3-yl)urea?
The InChIKey is VHJFSZHPMYPZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-6-4-19-5-8(6)15-11(17)14-3-7-2-9(10(12)13)18-16-7/h2,4-5,10H,3H2,1H3,(H2,14,15,17).
What are the key properties of 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylthiophen-3-yl)urea?
1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylthiophen-3-yl)urea has a molecular weight of 287.29 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylthiophen-3-yl)urea is sourced from PubChem (CID 138027996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).