2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid

C16H18N2O3 — CID 60833551

IUPAC2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid
SMILESCc1ccc(-c2cc(CN(CC(=O)O)C3CC3)on2)cc1
InChIInChI=1S/C16H18N2O3/c1-11-2-4-12(5-3-11)15-8-14(21-17-15)9-18(10-16(19)20)13-6-7-13/h2-5,8,13H,6-7,9-10H2,1H3,(H,19,20)
InChIKeyBHRGAAYOYIJSLC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.70
Rot. Bonds6

About 2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid

2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid (PubChem CID 60833551) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid
PubChem CID60833551
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid
SMILESCc1ccc(-c2cc(CN(CC(=O)O)C3CC3)on2)cc1
InChIInChI=1S/C16H18N2O3/c1-11-2-4-12(5-3-11)15-8-14(21-17-15)9-18(10-16(19)20)13-6-7-13/h2-5,8,13H,6-7,9-10H2,1H3,(H,19,20)
InChIKeyBHRGAAYOYIJSLC-UHFFFAOYSA-N
XLogP2.70
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]propanoic acid
CID 122082994
N-ethyl-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-3-amine
CID 63300075
2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 102676753
2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid
CID 61006913
2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490
3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]propanoic acid
CID 43466304
2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
CID 63065042
2-[cyclopentyl-[(4,5-dibromofuran-2-yl)methyl]amino]acetic acid
CID 65058362
(2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid
CID 104876274
2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947
5-(iodomethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 64787197
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]acetic acid
CID 60832913

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid (CID 60833551) is 2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid is Cc1ccc(-c2cc(CN(CC(=O)O)C3CC3)on2)cc1.
What is the InChIKey of 2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid?
The InChIKey is BHRGAAYOYIJSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-2-4-12(5-3-11)15-8-14(21-17-15)9-18(10-16(19)20)13-6-7-13/h2-5,8,13H,6-7,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid?
2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid is sourced from PubChem (CID 60833551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).