1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea

C18H15FN4O4 — CID 11726617

IUPAC1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1cc(F)cc(OC2=CN3C(=O)OC[C@@H]3C2)c1
InChIInChI=1S/C18H15FN4O4/c19-11-4-13(22-17(24)21-12-2-1-3-20-8-12)6-15(5-11)27-16-7-14-10-26-18(25)23(14)9-16/h1-6,8-9,14H,7,10H2,(H2,21,22,24)/t14-/m0/s1
InChIKeyNFHCMBXGURVSRH-AWEZNQCLSA-N
MW370.34 g/mol
LogP3.31
Rot. Bonds4

About 1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea

1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea (PubChem CID 11726617) has the molecular formula C18H15FN4O4 and a molecular weight of 370.34 g/mol. Its IUPAC name is 1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea
PubChem CID11726617
Molecular FormulaC18H15FN4O4
Molecular Weight370.34 g/mol
Exact Mass370.11
IUPAC Name1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1cc(F)cc(OC2=CN3C(=O)OC[C@@H]3C2)c1
InChIInChI=1S/C18H15FN4O4/c19-11-4-13(22-17(24)21-12-2-1-3-20-8-12)6-15(5-11)27-16-7-14-10-26-18(25)23(14)9-16/h1-6,8-9,14H,7,10H2,(H2,21,22,24)/t14-/m0/s1
InChIKeyNFHCMBXGURVSRH-AWEZNQCLSA-N
XLogP3.31
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea with MolForge

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Related Compounds

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CID 66677011
1-[3-[2-[(N'-cyano-N,N-dimethylcarbamimidoyl)-methylamino]propan-2-yloxy]-5-fluorophenyl]-3-pyridin-3-ylurea
CID 51037834
1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea
CID 108865005
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sodium;tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;1,3-diaminopropan-2-ol;1-[3-[(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)oxy]-5-fluorophenyl]-3-pyridin-3-ylurea;hydroxide
CID 159414763
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea (CID 11726617) is 1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea is O=C(Nc1cccnc1)Nc1cc(F)cc(OC2=CN3C(=O)OC[C@@H]3C2)c1.
What is the InChIKey of 1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea?
The InChIKey is NFHCMBXGURVSRH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H15FN4O4/c19-11-4-13(22-17(24)21-12-2-1-3-20-8-12)6-15(5-11)27-16-7-14-10-26-18(25)23(14)9-16/h1-6,8-9,14H,7,10H2,(H2,21,22,24)/t14-/m0/s1.
What are the key properties of 1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea?
1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea has a molecular weight of 370.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(7aS)-3-oxo-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-6-yl]oxy]-5-fluorophenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 11726617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).