2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid

C15H18N2O3 — CID 103243740

IUPAC2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid
SMILESCc1cc(CNCc2ccc(C(C)C(=O)O)cc2)no1
InChIInChI=1S/C15H18N2O3/c1-10-7-14(17-20-10)9-16-8-12-3-5-13(6-4-12)11(2)15(18)19/h3-7,11,16H,8-9H2,1-2H3,(H,18,19)
InChIKeyPITQZKUPPCPPGO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.46
Rot. Bonds6

About 2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid

2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid (PubChem CID 103243740) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid
PubChem CID103243740
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid
SMILESCc1cc(CNCc2ccc(C(C)C(=O)O)cc2)no1
InChIInChI=1S/C15H18N2O3/c1-10-7-14(17-20-10)9-16-8-12-3-5-13(6-4-12)11(2)15(18)19/h3-7,11,16H,8-9H2,1-2H3,(H,18,19)
InChIKeyPITQZKUPPCPPGO-UHFFFAOYSA-N
XLogP2.46
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]phenyl]propanoic acid
CID 106401631
4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide
CID 47124661
2-[4-[[(4-fluorophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234637
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60702122
5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103243727
2-[4-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]propanoic acid
CID 103254652
2-[4-[(2-ethylbutylamino)methyl]phenyl]propanoic acid
CID 103267076
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 60686114
2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine
CID 174641884
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid
CID 64669367
(2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid
CID 129401481
2-[4-[(oxolan-3-ylmethylamino)methyl]phenyl]propanoic acid
CID 103242573

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid (CID 103243740) is 2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid is Cc1cc(CNCc2ccc(C(C)C(=O)O)cc2)no1.
What is the InChIKey of 2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid?
The InChIKey is PITQZKUPPCPPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-7-14(17-20-10)9-16-8-12-3-5-13(6-4-12)11(2)15(18)19/h3-7,11,16H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid?
2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid is sourced from PubChem (CID 103243740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).