4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid

C15H19N3O3 — CID 61496101

IUPAC4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid
SMILESCCCc1nc(CN(C)Cc2ccc(C(=O)O)cc2)no1
InChIInChI=1S/C15H19N3O3/c1-3-4-14-16-13(17-21-14)10-18(2)9-11-5-7-12(8-6-11)15(19)20/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyXFMUQBWXLASGKX-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.35
Rot. Bonds7

About 4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid

4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid (PubChem CID 61496101) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid
PubChem CID61496101
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid
SMILESCCCc1nc(CN(C)Cc2ccc(C(=O)O)cc2)no1
InChIInChI=1S/C15H19N3O3/c1-3-4-14-16-13(17-21-14)10-18(2)9-11-5-7-12(8-6-11)15(19)20/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyXFMUQBWXLASGKX-UHFFFAOYSA-N
XLogP2.35
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

4-[[methyl(propyl)amino]methyl]benzoic acid
CID 39241525
[3-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750487
4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid
CID 54885490
4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61495281
2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119914992
[3-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750482
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241
bicyclo[2.2.0]hexa-1,3,5-triene;4-[[ethyl(methyl)amino]methyl]benzoic acid;hydrochloride
CID 70353921
3-[(3,4-dimethylphenyl)methyl]-1-ethyl-1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 121495878
2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115773273
methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate
CID 167922337
ethane;4-propylbenzoic acid
CID 91047964

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid (CID 61496101) is 4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid is CCCc1nc(CN(C)Cc2ccc(C(=O)O)cc2)no1.
What is the InChIKey of 4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid?
The InChIKey is XFMUQBWXLASGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-4-14-16-13(17-21-14)10-18(2)9-11-5-7-12(8-6-11)15(19)20/h5-8H,3-4,9-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid?
4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid has a molecular weight of 289.34 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid is sourced from PubChem (CID 61496101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).