2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid

C14H19N3O3S — CID 72873132

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid
SMILESCc1ncsc1CCN(C)C(C(=O)O)c1c(C)noc1C
InChIInChI=1S/C14H19N3O3S/c1-8-11(21-7-15-8)5-6-17(4)13(14(18)19)12-9(2)16-20-10(12)3/h7,13H,5-6H2,1-4H3,(H,18,19)
InChIKeyWWRZCMDCSCEOMG-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.36
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid

2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid (PubChem CID 72873132) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid
PubChem CID72873132
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid
SMILESCc1ncsc1CCN(C)C(C(=O)O)c1c(C)noc1C
InChIInChI=1S/C14H19N3O3S/c1-8-11(21-7-15-8)5-6-17(4)13(14(18)19)12-9(2)16-20-10(12)3/h7,13H,5-6H2,1-4H3,(H,18,19)
InChIKeyWWRZCMDCSCEOMG-UHFFFAOYSA-N
XLogP2.36
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid with MolForge

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Related Compounds

(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-phenylacetic acid
CID 97210749
(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(2-methylsulfanylphenyl)acetic acid
CID 97208969
2-(dimethylamino)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid
CID 82398410
2-[4-fluoro-3-(hydroxymethyl)phenyl]-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid
CID 72879209
(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid
CID 97204051
(2R)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(4-methyl-2-pyrazol-1-ylphenyl)acetic acid
CID 97187900
(2S)-2-[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid
CID 97277661
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-propan-2-ylamino]acetic acid
CID 62071366
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 56738833
2-methyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanoic acid
CID 79413835
3-[ethyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]butanoic acid
CID 55123962

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid (CID 72873132) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid is Cc1ncsc1CCN(C)C(C(=O)O)c1c(C)noc1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid?
The InChIKey is WWRZCMDCSCEOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-8-11(21-7-15-8)5-6-17(4)13(14(18)19)12-9(2)16-20-10(12)3/h7,13H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid has a molecular weight of 309.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]acetic acid is sourced from PubChem (CID 72873132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).