(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid

C15H19N3O3 — CID 97194513

IUPAC(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid
SMILESCc1noc(C)c1[C@@H](C(=O)O)N(C)CCc1ccccn1
InChIInChI=1S/C15H19N3O3/c1-10-13(11(2)21-17-10)14(15(19)20)18(3)9-7-12-6-4-5-8-16-12/h4-6,8,14H,7,9H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyMJHYOPBPHLODPM-AWEZNQCLSA-N
MW289.33 g/mol
LogP1.99
Rot. Bonds6

About (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid

(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid (PubChem CID 97194513) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid
PubChem CID97194513
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid
SMILESCc1noc(C)c1[C@@H](C(=O)O)N(C)CCc1ccccn1
InChIInChI=1S/C15H19N3O3/c1-10-13(11(2)21-17-10)14(15(19)20)18(3)9-7-12-6-4-5-8-16-12/h4-6,8,14H,7,9H2,1-3H3,(H,19,20)/t14-/m0/s1
InChIKeyMJHYOPBPHLODPM-AWEZNQCLSA-N
XLogP1.99
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(2-pyridin-2-ylethyl)amino]-2-phenylacetohydrazide
CID 63572687
2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid
CID 82398410
3-[methyl(2-pyridin-2-ylethyl)amino]-3-phenylpropanoic acid
CID 63069614
2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one
CID 43228048
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]urea
CID 126785691
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
(2S)-2-[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid
CID 97277661
N,3-dimethyl-5-pyridin-4-yl-N-(2-pyridin-2-ylethyl)-1,2-oxazole-4-carboxamide
CID 46093845

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid?
The IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid (CID 97194513) is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid is Cc1noc(C)c1[C@@H](C(=O)O)N(C)CCc1ccccn1.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid?
The InChIKey is MJHYOPBPHLODPM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-13(11(2)21-17-10)14(15(19)20)18(3)9-7-12-6-4-5-8-16-12/h4-6,8,14H,7,9H2,1-3H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid?
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid has a molecular weight of 289.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]acetic acid is sourced from PubChem (CID 97194513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).