methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate

C13H18N4O3 — CID 75386587

IUPACmethyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate
SMILESCOC(=O)C(C)c1c(C)nn(Cc2nc(C)no2)c1C
InChIInChI=1S/C13H18N4O3/c1-7(13(18)19-5)12-8(2)15-17(9(12)3)6-11-14-10(4)16-20-11/h7H,6H2,1-5H3
InChIKeyNNYZHBIUKDOZOV-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.52
Rot. Bonds4

About methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate

methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate (PubChem CID 75386587) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate
PubChem CID75386587
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Namemethyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate
SMILESCOC(=O)C(C)c1c(C)nn(Cc2nc(C)no2)c1C
InChIInChI=1S/C13H18N4O3/c1-7(13(18)19-5)12-8(2)15-17(9(12)3)6-11-14-10(4)16-20-11/h7H,6H2,1-5H3
InChIKeyNNYZHBIUKDOZOV-UHFFFAOYSA-N
XLogP1.52
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 43648009
methyl (2S)-2-[1-[(3-cyanophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 97157407
N-[[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647816
methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate
CID 77230842
methyl (2S)-2-[3,5-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]pyrazol-4-yl]propanoate
CID 97065527
ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate
CID 79317940
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565443
methyl N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 115612439
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-propan-2-yltriazol-4-amine
CID 79542451
N-cyclopropyl-N-ethyl-3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-sulfonamide
CID 71997043
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl] 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoate
CID 86956368
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-ethylbutanoate
CID 60561980

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate?
The IUPAC name of methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate (CID 75386587) is methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate.
What is the SMILES notation for methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate?
The canonical SMILES for methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate is COC(=O)C(C)c1c(C)nn(Cc2nc(C)no2)c1C.
What is the InChIKey of methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate?
The InChIKey is NNYZHBIUKDOZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-7(13(18)19-5)12-8(2)15-17(9(12)3)6-11-14-10(4)16-20-11/h7H,6H2,1-5H3.
What are the key properties of methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate?
methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate has a molecular weight of 278.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]propanoate is sourced from PubChem (CID 75386587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).