3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid

C14H16N2O3 — CID 60839934

IUPAC3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid
SMILESCc1ccccc1N(CCC(=O)O)Cc1ccno1
InChIInChI=1S/C14H16N2O3/c1-11-4-2-3-5-13(11)16(9-7-14(17)18)10-12-6-8-15-19-12/h2-6,8H,7,9-10H2,1H3,(H,17,18)
InChIKeyOQJUZUNMWNHGDD-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.46
Rot. Bonds6

About 3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid

3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid (PubChem CID 60839934) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid
PubChem CID60839934
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid
SMILESCc1ccccc1N(CCC(=O)O)Cc1ccno1
InChIInChI=1S/C14H16N2O3/c1-11-4-2-3-5-13(11)16(9-7-14(17)18)10-12-6-8-15-19-12/h2-6,8H,7,9-10H2,1H3,(H,17,18)
InChIKeyOQJUZUNMWNHGDD-UHFFFAOYSA-N
XLogP2.46
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[N-[(2-ethylpyrazol-3-yl)methyl]-2-methylanilino]propanoic acid
CID 114557914
3-[N-[(4-bromophenyl)methyl]-2-methylanilino]propanoic acid
CID 60840611
3-[N-[2-(dimethylamino)ethyl]-2-methylanilino]propanoic acid
CID 60839076
3-(2-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]anilino)propanoic acid
CID 62625910
3-[2-methyl-N-(oxolan-2-ylmethyl)anilino]propanoic acid
CID 60840608
3-[2-methyl-N-[2-(oxolan-2-yl)ethyl]anilino]propanoic acid
CID 65162196
3-[2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]anilino]propanoic acid
CID 114528708
3-[N-(cyclohexylmethyl)-2-methylanilino]propanoic acid
CID 60838743
3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid
CID 115982199
3-(N-ethyl-2,3-dimethylanilino)propanoic acid
CID 82318760
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid?
The IUPAC name of 3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid (CID 60839934) is 3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid.
What is the SMILES notation for 3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid?
The canonical SMILES for 3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid is Cc1ccccc1N(CCC(=O)O)Cc1ccno1.
What is the InChIKey of 3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid?
The InChIKey is OQJUZUNMWNHGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-11-4-2-3-5-13(11)16(9-7-14(17)18)10-12-6-8-15-19-12/h2-6,8H,7,9-10H2,1H3,(H,17,18).
What are the key properties of 3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid?
3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-N-(1,2-oxazol-5-ylmethyl)anilino]propanoic acid is sourced from PubChem (CID 60839934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).