2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid

C16H20N2O3 — CID 63065042

IUPAC2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H20N2O3/c1-12(2)9-18(11-16(19)20)10-14-8-15(17-21-14)13-6-4-3-5-7-13/h3-8,12H,9-11H2,1-2H3,(H,19,20)
InChIKeyLSRNREXRUBFYGP-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.88
Rot. Bonds7

About 2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid

2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid (PubChem CID 63065042) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
PubChem CID63065042
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C16H20N2O3/c1-12(2)9-18(11-16(19)20)10-14-8-15(17-21-14)13-6-4-3-5-7-13/h3-8,12H,9-11H2,1-2H3,(H,19,20)
InChIKeyLSRNREXRUBFYGP-UHFFFAOYSA-N
XLogP2.88
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-phenyl-1,2-oxazol-5-yl)methyl-propylamino]acetic acid
CID 61006913
2-[(3-methyl-1,2-oxazol-5-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 63064169
2-[2-hydroxyethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 62021320
2-[(4,5-dibromofuran-2-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 65063813
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
N-tert-butyl-2-[ethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetamide
CID 51291858
N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686446
4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434
2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82294611
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 70786939
2-[cyclopropyl-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]amino]acetic acid
CID 60833551
(1R)-1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]-2-pyridinyl]ethanol
CID 97209953

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid (CID 63065042) is 2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid is CC(C)CN(CC(=O)O)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of 2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid?
The InChIKey is LSRNREXRUBFYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(2)9-18(11-16(19)20)10-14-8-15(17-21-14)13-6-4-3-5-7-13/h3-8,12H,9-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid?
2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 63065042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).