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

C15H18N2O3 — CID 61010033

IUPAC3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C15H18N2O3/c1-2-17(9-8-15(18)19)11-14-16-10-13(20-14)12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,18,19)
InChIKeyIRXSYITYEURKRJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.64
Rot. Bonds7

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

3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid (PubChem CID 61010033) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid
PubChem CID61010033
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C15H18N2O3/c1-2-17(9-8-15(18)19)11-14-16-10-13(20-14)12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,18,19)
InChIKeyIRXSYITYEURKRJ-UHFFFAOYSA-N
XLogP2.64
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]propanoic acid
CID 61009900
2-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-2-methylpropanoic acid
CID 62822369
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 75456489
3-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 61010785
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 61009666
2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79276984
ethyl 2-[2-methoxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]acetate
CID 60528147
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]ethanol
CID 60686061
2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60686062
3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119911544
3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
CID 111112523

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid (CID 61010033) is 3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid is CCN(CCC(=O)O)Cc1ncc(-c2ccccc2)o1.
What is the InChIKey of 3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid?
The InChIKey is IRXSYITYEURKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-17(9-8-15(18)19)11-14-16-10-13(20-14)12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,18,19).
What are the key properties of 3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid?
3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 61010033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).