(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate

C17H18N2O4 — CID 18202987

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
SMILESCc1noc(C)c1COC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H18N2O4/c1-11-15(12(2)23-18-11)10-22-17(21)13-5-3-6-14(9-13)19-8-4-7-16(19)20/h3,5-6,9H,4,7-8,10H2,1-2H3
InChIKeyQRIZZZUZIZWQOM-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.78
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 18202987) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID18202987
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
SMILESCc1noc(C)c1COC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H18N2O4/c1-11-15(12(2)23-18-11)10-22-17(21)13-5-3-6-14(9-13)19-8-4-7-16(19)20/h3,5-6,9H,4,7-8,10H2,1-2H3
InChIKeyQRIZZZUZIZWQOM-UHFFFAOYSA-N
XLogP2.78
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 55392584
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 9124039
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728498
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 9477215
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 46404795
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728080
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727594
[2-(3-fluorophenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8678174
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8726008
[2-(2-methylpropylamino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727172
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 8883253

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate (CID 18202987) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate is Cc1noc(C)c1COC(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is QRIZZZUZIZWQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-15(12(2)23-18-11)10-22-17(21)13-5-3-6-14(9-13)19-8-4-7-16(19)20/h3,5-6,9H,4,7-8,10H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 314.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 18202987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).