1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea

C12H12F2N4O3 — CID 138025894

IUPAC1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea
SMILESCOc1cncc(NC(=O)NCc2cc(C(F)F)on2)c1
InChIInChI=1S/C12H12F2N4O3/c1-20-9-2-7(4-15-6-9)17-12(19)16-5-8-3-10(11(13)14)21-18-8/h2-4,6,11H,5H2,1H3,(H2,16,17,19)
InChIKeyQVDMEEHNUBZTJW-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.34
Rot. Bonds5

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

1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea (PubChem CID 138025894) has the molecular formula C12H12F2N4O3 and a molecular weight of 298.25 g/mol. Its IUPAC name is 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea
PubChem CID138025894
Molecular FormulaC12H12F2N4O3
Molecular Weight298.25 g/mol
Exact Mass298.09
IUPAC Name1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea
SMILESCOc1cncc(NC(=O)NCc2cc(C(F)F)on2)c1
InChIInChI=1S/C12H12F2N4O3/c1-20-9-2-7(4-15-6-9)17-12(19)16-5-8-3-10(11(13)14)21-18-8/h2-4,6,11H,5H2,1H3,(H2,16,17,19)
InChIKeyQVDMEEHNUBZTJW-UHFFFAOYSA-N
XLogP2.34
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(4-methylthiophen-3-yl)urea
CID 138027996
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-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea
CID 72939283
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide
CID 175874136
1-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 110747513
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51093356
1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967504
N-fluoro-5-methoxypyridin-3-amine
CID 155111247
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-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359
2-chloro-3-fluoro-N-(5-methoxy-3-pyridinyl)benzamide
CID 167914388
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea (CID 138025894) is 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea is COc1cncc(NC(=O)NCc2cc(C(F)F)on2)c1.
What is the InChIKey of 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea?
The InChIKey is QVDMEEHNUBZTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O3/c1-20-9-2-7(4-15-6-9)17-12(19)16-5-8-3-10(11(13)14)21-18-8/h2-4,6,11H,5H2,1H3,(H2,16,17,19).
What are the key properties of 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea?
1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea has a molecular weight of 298.25 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 138025894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).