4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid

C16H18N2O4 — CID 119201237

IUPAC4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid
SMILESCCc1ocnc1C(=O)NC(CCC(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O4/c1-2-13-15(17-10-22-13)16(21)18-12(8-9-14(19)20)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyQURUBMNNYUKMBJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.57
Rot. Bonds7

About 4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid

4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid (PubChem CID 119201237) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid
PubChem CID119201237
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid
SMILESCCc1ocnc1C(=O)NC(CCC(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O4/c1-2-13-15(17-10-22-13)16(21)18-12(8-9-14(19)20)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3,(H,18,21)(H,19,20)
InChIKeyQURUBMNNYUKMBJ-UHFFFAOYSA-N
XLogP2.57
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid
CID 119201948
(4S)-4-[(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutanoic acid
CID 99644169
4-(2-methylbutanoylamino)-4-phenylbutanoic acid
CID 60825193
4-(2,2-dimethylbutanoylamino)-4-phenylbutanoic acid
CID 62680099
4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid
CID 119201300
4-[(3-ethoxybenzoyl)amino]-4-phenylbutanoic acid
CID 119201351
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337
4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid
CID 61186751
4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-4-phenylbutanoic acid
CID 119201158
4-[[(2S)-2-aminohexanoyl]amino]-4-phenylbutanoic acid
CID 107144822
N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide
CID 101474890
4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid
CID 60825345

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid?
The IUPAC name of 4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid (CID 119201237) is 4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid is CCc1ocnc1C(=O)NC(CCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid?
The InChIKey is QURUBMNNYUKMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-13-15(17-10-22-13)16(21)18-12(8-9-14(19)20)11-6-4-3-5-7-11/h3-7,10,12H,2,8-9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid?
4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-4-phenylbutanoic acid is sourced from PubChem (CID 119201237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).