methyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate

C23H21FN4O5 — CID 67353310

IUPACmethyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(-c2ccc(NC(=O)Nc3ccccc3F)cc2)no1
InChIInChI=1S/C23H21FN4O5/c1-32-22(30)19-7-4-12-28(19)21(29)20-13-18(27-33-20)14-8-10-15(11-9-14)25-23(31)26-17-6-3-2-5-16(17)24/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3,(H2,25,26,31)
InChIKeyVGEOCEJOSOKYLE-UHFFFAOYSA-N
MW452.44 g/mol
LogP3.90
Rot. Bonds5

About methyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate

methyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate (PubChem CID 67353310) has the molecular formula C23H21FN4O5 and a molecular weight of 452.44 g/mol. Its IUPAC name is methyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate
PubChem CID67353310
Molecular FormulaC23H21FN4O5
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC Namemethyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(-c2ccc(NC(=O)Nc3ccccc3F)cc2)no1
InChIInChI=1S/C23H21FN4O5/c1-32-22(30)19-7-4-12-28(19)21(29)20-13-18(27-33-20)14-8-10-15(11-9-14)25-23(31)26-17-6-3-2-5-16(17)24/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3,(H2,25,26,31)
InChIKeyVGEOCEJOSOKYLE-UHFFFAOYSA-N
XLogP3.90
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

tert-butyl (2R)-1-[3-(4-bromophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate
CID 90316307
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176237
1-(3-methyl-1,2-oxazole-5-carbonyl)-N-phenylpyrrolidine-2-carboxamide
CID 51077333
(2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 57457627
(2R)-2-[[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carboximidoyl]-hydroxyamino]-3-methylbutanoic acid
CID 91398620
methyl 1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate
CID 50963151
[2-(2-fluorophenyl)pyrrolidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46266458
[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 46266441
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 119651558
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51612927
[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 51611901

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate (CID 67353310) is methyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cc(-c2ccc(NC(=O)Nc3ccccc3F)cc2)no1.
What is the InChIKey of methyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate?
The InChIKey is VGEOCEJOSOKYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O5/c1-32-22(30)19-7-4-12-28(19)21(29)20-13-18(27-33-20)14-8-10-15(11-9-14)25-23(31)26-17-6-3-2-5-16(17)24/h2-3,5-6,8-11,13,19H,4,7,12H2,1H3,(H2,25,26,31).
What are the key properties of methyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate?
methyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate has a molecular weight of 452.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[4-[(2-fluorophenyl)carbamoylamino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 67353310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).