4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid

C16H18N2O4 — CID 71875590

IUPAC4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid
SMILESCC(C)c1ocnc1C(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H18N2O4/c1-10(2)14-13(18-9-22-14)15(19)17-8-7-11-3-5-12(6-4-11)16(20)21/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyQHEUZZKRCDMRLP-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.47
Rot. Bonds6

About 4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid

4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid (PubChem CID 71875590) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid
PubChem CID71875590
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid
SMILESCC(C)c1ocnc1C(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H18N2O4/c1-10(2)14-13(18-9-22-14)15(19)17-8-7-11-3-5-12(6-4-11)16(20)21/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyQHEUZZKRCDMRLP-UHFFFAOYSA-N
XLogP2.47
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid with MolForge

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Related Compounds

5-propan-2-yl-N-[3-(4-propan-2-ylphenyl)propyl]-1,3-oxazole-4-carboxamide
CID 86963264
4-[2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 119168836
4-[2-(2-methylbutanoylamino)ethyl]benzoic acid
CID 43665707
4-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]ethyl]benzoic acid
CID 43665789
4-[2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]ethyl]benzoic acid
CID 120513002
4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid
CID 119168848
4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid
CID 107371437
5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 86937462
4-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethyl]benzoic acid
CID 61160853
4-[2-[(3-ethyl-4-methylpentanoyl)amino]ethyl]benzoic acid
CID 119168661
4-[2-[(4-methylthiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 79802947
4-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethyl]benzoic acid
CID 62837304

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid (CID 71875590) is 4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid is CC(C)c1ocnc1C(=O)NCCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is QHEUZZKRCDMRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10(2)14-13(18-9-22-14)15(19)17-8-7-11-3-5-12(6-4-11)16(20)21/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid?
4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-propan-2-yl-1,3-oxazole-4-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 71875590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).