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

C14H18N2O3S — CID 62819965

IUPAC2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1cc(-c2cccs2)on1)C(C)(C)C(=O)O
InChIInChI=1S/C14H18N2O3S/c1-4-16(14(2,3)13(17)18)9-10-8-11(19-15-10)12-6-5-7-20-12/h5-8H,4,9H2,1-3H3,(H,17,18)
InChIKeySLIPMQQGHWBPJF-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.09
Rot. Bonds6

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

2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid (PubChem CID 62819965) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
PubChem CID62819965
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1cc(-c2cccs2)on1)C(C)(C)C(=O)O
InChIInChI=1S/C14H18N2O3S/c1-4-16(14(2,3)13(17)18)9-10-8-11(19-15-10)12-6-5-7-20-12/h5-8H,4,9H2,1-3H3,(H,17,18)
InChIKeySLIPMQQGHWBPJF-UHFFFAOYSA-N
XLogP3.09
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62820490
2-[ethyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropanoic acid
CID 62820836
3-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62852990
2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid
CID 170879419
N-cyclopropyl-2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 8910173
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid
CID 79261729
2-[ethyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid
CID 62822562
2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 119914930
2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62819926
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321
N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879446
1-[[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 115758441

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid (CID 62819965) is 2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid is CCN(Cc1cc(-c2cccs2)on1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid?
The InChIKey is SLIPMQQGHWBPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-4-16(14(2,3)13(17)18)9-10-8-11(19-15-10)12-6-5-7-20-12/h5-8H,4,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid has a molecular weight of 294.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62819965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).