1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea

C20H15FN4O2S — CID 24830146

IUPAC1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea
SMILESCc1cc(-c2cnco2)sc1-c1ccc(NC(=O)Nc2ccncc2F)cc1
InChIInChI=1S/C20H15FN4O2S/c1-12-8-18(17-10-23-11-27-17)28-19(12)13-2-4-14(5-3-13)24-20(26)25-16-6-7-22-9-15(16)21/h2-11H,1H3,(H2,22,24,25,26)
InChIKeyMNTPYSYREGZGFV-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.56
Rot. Bonds4

About 1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea

1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea (PubChem CID 24830146) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea
PubChem CID24830146
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC Name1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea
SMILESCc1cc(-c2cnco2)sc1-c1ccc(NC(=O)Nc2ccncc2F)cc1
InChIInChI=1S/C20H15FN4O2S/c1-12-8-18(17-10-23-11-27-17)28-19(12)13-2-4-14(5-3-13)24-20(26)25-16-6-7-22-9-15(16)21/h2-11H,1H3,(H2,22,24,25,26)
InChIKeyMNTPYSYREGZGFV-UHFFFAOYSA-N
XLogP5.56
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea with MolForge

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Related Compounds

[2-Methoxy-6-(5-oxazol-5-yl-thiophen-2-yl)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 11690028
N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 56601742
2,6-Difluoro-N-[5-(3-oxazol-5-yl-phenyl)-thiophen-2-yl]-benzamide
CID 58703376
(5S)-5-[3-fluoro-5-[2-(1,3-oxazol-5-yl)-4-pyridinyl]thiophen-2-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 74222959
1-(2,6-Difluoro-phenyl)-3-[4-(5-oxazol-5-yl-3-methylthiophen-2-yl)-phenyl]-urea
CID 24829981
2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide
CID 24875412
2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide
CID 24875414
2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 24875603
2,6-difluoro-N-[4-[5-(1,3-oxazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 24875776
2,6-difluoro-N-[4-[5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide
CID 24875777
2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]phenyl]benzamide
CID 24875779
3,5-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
CID 24875967

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea (CID 24830146) is 1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea is Cc1cc(-c2cnco2)sc1-c1ccc(NC(=O)Nc2ccncc2F)cc1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea?
The InChIKey is MNTPYSYREGZGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-12-8-18(17-10-23-11-27-17)28-19(12)13-2-4-14(5-3-13)24-20(26)25-16-6-7-22-9-15(16)21/h2-11H,1H3,(H2,22,24,25,26).
What are the key properties of 1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea?
1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea has a molecular weight of 394.43 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-3-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]urea is sourced from PubChem (CID 24830146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).