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

C18H20N2O5 — CID 19488173

IUPACmethyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1noc(C)c1COc1ccccc1
InChIInChI=1S/C18H20N2O5/c1-12-14(11-24-13-7-4-3-5-8-13)16(19-25-12)17(21)20-10-6-9-15(20)18(22)23-2/h3-5,7-8,15H,6,9-11H2,1-2H3
InChIKeyDLROZLLRIGIRSS-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.34
Rot. Bonds5

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

methyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate (PubChem CID 19488173) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate
PubChem CID19488173
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namemethyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1noc(C)c1COc1ccccc1
InChIInChI=1S/C18H20N2O5/c1-12-14(11-24-13-7-4-3-5-8-13)16(19-25-12)17(21)20-10-6-9-15(20)18(22)23-2/h3-5,7-8,15H,6,9-11H2,1-2H3
InChIKeyDLROZLLRIGIRSS-UHFFFAOYSA-N
XLogP2.34
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-benzylpiperidin-1-yl)-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
CID 19486314
methyl 2-[4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 19443882
methyl 2-[4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 19483816
ethyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]piperidine-4-carboxylate
CID 19486388
N-cyclohexyl-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486426
2-[(2S)-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637247
azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 19488187
[4-[(3-bromophenyl)methyl]piperazin-1-yl]-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
CID 19488152
[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 19444507
methyl 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylate
CID 115280024
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
methyl 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153800

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate (CID 19488173) is methyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1noc(C)c1COc1ccccc1.
What is the InChIKey of methyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate?
The InChIKey is DLROZLLRIGIRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12-14(11-24-13-7-4-3-5-8-13)16(19-25-12)17(21)20-10-6-9-15(20)18(22)23-2/h3-5,7-8,15H,6,9-11H2,1-2H3.
What are the key properties of methyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate?
methyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 19488173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).