methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate

C13H14N2O4 — CID 112618867

IUPACmethyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCCOc1cccc(-c2nnc(C(=O)OC)o2)c1
InChIInChI=1S/C13H14N2O4/c1-3-7-18-10-6-4-5-9(8-10)11-14-15-12(19-11)13(16)17-2/h4-6,8H,3,7H2,1-2H3
InChIKeyKUZUBKVVWNAXJL-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.31
Rot. Bonds5

About methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate

methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 112618867) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID112618867
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Namemethyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCCOc1cccc(-c2nnc(C(=O)OC)o2)c1
InChIInChI=1S/C13H14N2O4/c1-3-7-18-10-6-4-5-9(8-10)11-14-15-12(19-11)13(16)17-2/h4-6,8H,3,7H2,1-2H3
InChIKeyKUZUBKVVWNAXJL-UHFFFAOYSA-N
XLogP2.31
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate 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

methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
methyl 5-(3-hydroxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685435
N-[[5-(3-propoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62919697
2-(1-bromopropyl)-5-(3-propoxyphenyl)-1,3,4-oxadiazole
CID 62919503
3-butoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4525703
5-(3-butoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 91675556
methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 113306348
4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842346
2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 9031554
N-ethyl-5-(3-methoxyphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391942
methyl 5-(6-bromonaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 115960711
4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198883

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate (CID 112618867) is methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate is CCCOc1cccc(-c2nnc(C(=O)OC)o2)c1.
What is the InChIKey of methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is KUZUBKVVWNAXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-3-7-18-10-6-4-5-9(8-10)11-14-15-12(19-11)13(16)17-2/h4-6,8H,3,7H2,1-2H3.
What are the key properties of methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate?
methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-propoxyphenyl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 112618867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).