2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid

C16H20N2O3 — CID 62820490

IUPAC2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1cc(-c2ccccc2)on1)C(C)(C)C(=O)O
InChIInChI=1S/C16H20N2O3/c1-4-18(16(2,3)15(19)20)11-13-10-14(21-17-13)12-8-6-5-7-9-12/h5-10H,4,11H2,1-3H3,(H,19,20)
InChIKeyDVHIPPFIYGRTTQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.03
Rot. Bonds6

About 2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid

2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid (PubChem CID 62820490) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
PubChem CID62820490
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1cc(-c2ccccc2)on1)C(C)(C)C(=O)O
InChIInChI=1S/C16H20N2O3/c1-4-18(16(2,3)15(19)20)11-13-10-14(21-17-13)12-8-6-5-7-9-12/h5-10H,4,11H2,1-3H3,(H,19,20)
InChIKeyDVHIPPFIYGRTTQ-UHFFFAOYSA-N
XLogP3.03
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62819965
2-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-2-methylpropanoic acid
CID 62822369
2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62819926
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 61009666
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
CID 62825872
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60988202
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide
CID 42656369
2-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 60683924
N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine
CID 79664342
2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60840315
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid
CID 79261729
2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propylamino]ethanol
CID 60693417

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid (CID 62820490) is 2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid is CCN(Cc1cc(-c2ccccc2)on1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid?
The InChIKey is DVHIPPFIYGRTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-18(16(2,3)15(19)20)11-13-10-14(21-17-13)12-8-6-5-7-9-12/h5-10H,4,11H2,1-3H3,(H,19,20).
What are the key properties of 2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid has a molecular weight of 288.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62820490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).