4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid

C17H24N4O5 — CID 120533690

IUPAC4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid
SMILESCc1cnn(Cc2cc(C(=O)NC(CCOC(C)(C)C)C(=O)O)no2)c1
InChIInChI=1S/C17H24N4O5/c1-11-8-18-21(9-11)10-12-7-14(20-26-12)15(22)19-13(16(23)24)5-6-25-17(2,3)4/h7-9,13H,5-6,10H2,1-4H3,(H,19,22)(H,23,24)
InChIKeyQZTSHYHFBSJTTD-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.62
Rot. Bonds8

About 4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid

4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid (PubChem CID 120533690) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid
PubChem CID120533690
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid
SMILESCc1cnn(Cc2cc(C(=O)NC(CCOC(C)(C)C)C(=O)O)no2)c1
InChIInChI=1S/C17H24N4O5/c1-11-8-18-21(9-11)10-12-7-14(20-26-12)15(22)19-13(16(23)24)5-6-25-17(2,3)4/h7-9,13H,5-6,10H2,1-4H3,(H,19,22)(H,23,24)
InChIKeyQZTSHYHFBSJTTD-UHFFFAOYSA-N
XLogP1.62
TPSA119.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 120518510
5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63579229
N-(3-hydroxybutyl)-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 109476379
4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66157132
5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 167957277
4-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524527
2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanedioic acid
CID 66156134
2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid
CID 120517205
2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533637
2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533619
3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 72870049
5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 126768791

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid (CID 120533690) is 4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid is Cc1cnn(Cc2cc(C(=O)NC(CCOC(C)(C)C)C(=O)O)no2)c1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid?
The InChIKey is QZTSHYHFBSJTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-11-8-18-21(9-11)10-12-7-14(20-26-12)15(22)19-13(16(23)24)5-6-25-17(2,3)4/h7-9,13H,5-6,10H2,1-4H3,(H,19,22)(H,23,24).
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid?
4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid has a molecular weight of 364.40 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 120533690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).