2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid

C17H19ClN2O5 — CID 120531979

IUPAC2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid
SMILESCc1noc(C)c1C(C)CC(=O)Nc1ccc(OCC(=O)O)c(Cl)c1
InChIInChI=1S/C17H19ClN2O5/c1-9(17-10(2)20-25-11(17)3)6-15(21)19-12-4-5-14(13(18)7-12)24-8-16(22)23/h4-5,7,9H,6,8H2,1-3H3,(H,19,21)(H,22,23)
InChIKeySFQCRCKOLAIOIS-UHFFFAOYSA-N
MW366.80 g/mol
LogP3.54
Rot. Bonds7

About 2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid

2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid (PubChem CID 120531979) has the molecular formula C17H19ClN2O5 and a molecular weight of 366.80 g/mol. Its IUPAC name is 2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid
PubChem CID120531979
Molecular FormulaC17H19ClN2O5
Molecular Weight366.80 g/mol
Exact Mass366.10
IUPAC Name2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid
SMILESCc1noc(C)c1C(C)CC(=O)Nc1ccc(OCC(=O)O)c(Cl)c1
InChIInChI=1S/C17H19ClN2O5/c1-9(17-10(2)20-25-11(17)3)6-15(21)19-12-4-5-14(13(18)7-12)24-8-16(22)23/h4-5,7,9H,6,8H2,1-3H3,(H,19,21)(H,22,23)
InChIKeySFQCRCKOLAIOIS-UHFFFAOYSA-N
XLogP3.54
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 120523489
2-[2-chloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfamoyl]phenoxy]acetic acid
CID 167808293
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxy-6-methyl-2-pyridinyl)butanamide
CID 138993062
N-(3-chloro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39135194
2-[2-chloro-4-[[2-(oxan-2-yl)acetyl]amino]phenoxy]acetic acid
CID 120688629
2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
CID 129469734
2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 108572839
3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
CID 54862798
3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119715601
2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
CID 120531950
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
(2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 39995903

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid?
The IUPAC name of 2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid (CID 120531979) is 2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid is Cc1noc(C)c1C(C)CC(=O)Nc1ccc(OCC(=O)O)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid?
The InChIKey is SFQCRCKOLAIOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5/c1-9(17-10(2)20-25-11(17)3)6-15(21)19-12-4-5-14(13(18)7-12)24-8-16(22)23/h4-5,7,9H,6,8H2,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid?
2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid has a molecular weight of 366.80 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]phenoxy]acetic acid is sourced from PubChem (CID 120531979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).