2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid

C19H24N2O5 — CID 120538107

IUPAC2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid
SMILESCc1noc(C)c1C(C)CC(=O)N(C)Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C19H24N2O5/c1-12(19-13(2)20-26-14(19)3)9-17(22)21(4)10-15-5-7-16(8-6-15)25-11-18(23)24/h5-8,12H,9-11H2,1-4H3,(H,23,24)
InChIKeyIBGSIQIRMCBBKI-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.91
Rot. Bonds8

About 2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid

2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid (PubChem CID 120538107) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid
PubChem CID120538107
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid
SMILESCc1noc(C)c1C(C)CC(=O)N(C)Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C19H24N2O5/c1-12(19-13(2)20-26-14(19)3)9-17(22)21(4)10-15-5-7-16(8-6-15)25-11-18(23)24/h5-8,12H,9-11H2,1-4H3,(H,23,24)
InChIKeyIBGSIQIRMCBBKI-UHFFFAOYSA-N
XLogP2.91
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 27665797
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 26555263
2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid
CID 120531979
2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 120523489
2-[4-[[methyl-[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]phenoxy]acetic acid
CID 120538027
N-[(3-chlorophenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylacetamide
CID 26622251
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
2-[4-[[[3-(3-chlorophenyl)-2-methylpropanoyl]-methylamino]methyl]phenoxy]acetic acid
CID 120538009
2-[4-[[(2,6-dimethyl-3-pyridinyl)methyl-methylamino]methyl]phenoxy]acetic acid
CID 138004182
2-[4-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]phenoxy]acetic acid
CID 77079828
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 78961504
2-[4-[[(4,4-difluorocyclohexanecarbonyl)-methylamino]methyl]phenoxy]acetic acid
CID 120538094

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid (CID 120538107) is 2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid is Cc1noc(C)c1C(C)CC(=O)N(C)Cc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid?
The InChIKey is IBGSIQIRMCBBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-12(19-13(2)20-26-14(19)3)9-17(22)21(4)10-15-5-7-16(8-6-15)25-11-18(23)24/h5-8,12H,9-11H2,1-4H3,(H,23,24).
What are the key properties of 2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid?
2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid has a molecular weight of 360.41 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl-methylamino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 120538107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).