methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate

C13H15N3O3 — CID 66174734

IUPACmethyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate
SMILESCOC(=O)C(C)Nc1ccc(-c2nnco2)cc1C
InChIInChI=1S/C13H15N3O3/c1-8-6-10(12-16-14-7-19-12)4-5-11(8)15-9(2)13(17)18-3/h4-7,9,15H,1-3H3
InChIKeyPSOUSRKAAYEALY-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.02
Rot. Bonds4

About methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate

methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate (PubChem CID 66174734) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate
PubChem CID66174734
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate
SMILESCOC(=O)C(C)Nc1ccc(-c2nnco2)cc1C
InChIInChI=1S/C13H15N3O3/c1-8-6-10(12-16-14-7-19-12)4-5-11(8)15-9(2)13(17)18-3/h4-7,9,15H,1-3H3
InChIKeyPSOUSRKAAYEALY-UHFFFAOYSA-N
XLogP2.02
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(4-methylpentan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43735645
N-(1-ethoxypropan-2-yl)-2-methyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 115929055
2-amino-4-methyl-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 43713909
2-hydroxyethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate
CID 79345905
5-methoxy-4-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]pentane-1,4-diamine
CID 103388781
methyl (2R)-2-(2,4-dimethylanilino)propanoate
CID 94188227
2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63681213
2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate
CID 65173469
methyl 2-(4-chloro-2-methylanilino)propanoate
CID 60666871
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 43706124
N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]ethanesulfonamide
CID 64585706
methyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoate
CID 66174126

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate?
The IUPAC name of methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate (CID 66174734) is methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate.
What is the SMILES notation for methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate?
The canonical SMILES for methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate is COC(=O)C(C)Nc1ccc(-c2nnco2)cc1C.
What is the InChIKey of methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate?
The InChIKey is PSOUSRKAAYEALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-6-10(12-16-14-7-19-12)4-5-11(8)15-9(2)13(17)18-3/h4-7,9,15H,1-3H3.
What are the key properties of methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate?
methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate has a molecular weight of 261.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate is sourced from PubChem (CID 66174734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).