5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid

C15H19NO5 — CID 62933845

IUPAC5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid
SMILESCn1c(=O)oc2cc(C(O)CC(C)(C)CC(=O)O)ccc21
InChIInChI=1S/C15H19NO5/c1-15(2,8-13(18)19)7-11(17)9-4-5-10-12(6-9)21-14(20)16(10)3/h4-6,11,17H,7-8H2,1-3H3,(H,18,19)
InChIKeyLTVSELRKADGZOJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.06
Rot. Bonds5

About 5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid

5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid (PubChem CID 62933845) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid.

Molecular Properties

Compound Name5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid
PubChem CID62933845
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid
SMILESCn1c(=O)oc2cc(C(O)CC(C)(C)CC(=O)O)ccc21
InChIInChI=1S/C15H19NO5/c1-15(2,8-13(18)19)7-11(17)9-4-5-10-12(6-9)21-14(20)16(10)3/h4-6,11,17H,7-8H2,1-3H3,(H,18,19)
InChIKeyLTVSELRKADGZOJ-UHFFFAOYSA-N
XLogP2.06
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-hydroxy-3,3-dimethylbutyl)-3-propyl-1,3-benzoxazol-2-one
CID 62298658
6-(4-amino-1-hydroxybutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82341274
4-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297645
6-[1-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 14751625
6-(1-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 14751624
3-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-benzoxazol-2-one
CID 62298959
6-(1-chloro-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62300717
1-[hydroxy-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836340
6-(1,2-diamino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932681
6-(1-hydroxy-2-propylpentyl)-3-methyl-1,3-benzoxazol-2-one
CID 82987811
6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 65157893
6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299846

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid?
The IUPAC name of 5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid (CID 62933845) is 5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid.
What is the SMILES notation for 5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid?
The canonical SMILES for 5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid is Cn1c(=O)oc2cc(C(O)CC(C)(C)CC(=O)O)ccc21.
What is the InChIKey of 5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid?
The InChIKey is LTVSELRKADGZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-15(2,8-13(18)19)7-11(17)9-4-5-10-12(6-9)21-14(20)16(10)3/h4-6,11,17H,7-8H2,1-3H3,(H,18,19).
What are the key properties of 5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid?
5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid has a molecular weight of 293.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanoic acid is sourced from PubChem (CID 62933845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).