methyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate

C18H15FN2O5 — CID 68862151

IUPACmethyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate
SMILESCOCc1onc(-c2ccc(F)cc2)c1C(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C18H15FN2O5/c1-24-9-14-15(16(21-26-14)10-3-5-12(19)6-4-10)17(22)11-7-13(20-8-11)18(23)25-2/h3-8,20H,9H2,1-2H3
InChIKeyKNFKYYWFZLZRIQ-UHFFFAOYSA-N
MW358.33 g/mol
LogP2.97
Rot. Bonds6

About methyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate

methyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate (PubChem CID 68862151) has the molecular formula C18H15FN2O5 and a molecular weight of 358.33 g/mol. Its IUPAC name is methyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate
PubChem CID68862151
Molecular FormulaC18H15FN2O5
Molecular Weight358.33 g/mol
Exact Mass358.10
IUPAC Namemethyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate
SMILESCOCc1onc(-c2ccc(F)cc2)c1C(=O)c1c[nH]c(C(=O)OC)c1
InChIInChI=1S/C18H15FN2O5/c1-24-9-14-15(16(21-26-14)10-3-5-12(19)6-4-10)17(22)11-7-13(20-8-11)18(23)25-2/h3-8,20H,9H2,1-2H3
InChIKeyKNFKYYWFZLZRIQ-UHFFFAOYSA-N
XLogP2.97
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

methyl 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methylamino]-1,2-oxazole-4-carboxylate
CID 22581820
2-[4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-pyrrol-2-yl]acetic acid
CID 174562736
methyl 3-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-1H-pyrazole-5-carboxylate
CID 66643834
methyl 4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxylate
CID 118959001
CID 172815273
CID 172815273
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
1-[4-[3-(4-bromophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1H-pyrrol-2-yl]ethanone
CID 143434093
methyl 5-[[4-(dimethylamino)phenyl]methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 46358776
4-[3-(4-bromophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(2,2-difluoroethyl)-1H-pyrrole-2-carboxamide
CID 90977693
methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 53022232
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 100631385
N-cyclopropyl-3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carboxamide
CID 162880928

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate (CID 68862151) is methyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate is COCc1onc(-c2ccc(F)cc2)c1C(=O)c1c[nH]c(C(=O)OC)c1.
What is the InChIKey of methyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate?
The InChIKey is KNFKYYWFZLZRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O5/c1-24-9-14-15(16(21-26-14)10-3-5-12(19)6-4-10)17(22)11-7-13(20-8-11)18(23)25-2/h3-8,20H,9H2,1-2H3.
What are the key properties of methyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate?
methyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate has a molecular weight of 358.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(4-fluorophenyl)-5-(methoxymethyl)-1,2-oxazole-4-carbonyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 68862151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).