methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate

C15H20N2O3S — CID 60965751

IUPACmethyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C15H20N2O3S/c1-10(15(18)19-4)8-17(3)9-12-11(2)20-14(16-12)13-6-5-7-21-13/h5-7,10H,8-9H2,1-4H3
InChIKeyXBKLTKUNNHFFGC-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.95
Rot. Bonds6

About methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate

methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate (PubChem CID 60965751) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate
PubChem CID60965751
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Namemethyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1nc(-c2cccs2)oc1C
InChIInChI=1S/C15H20N2O3S/c1-10(15(18)19-4)8-17(3)9-12-11(2)20-14(16-12)13-6-5-7-21-13/h5-7,10H,8-9H2,1-4H3
InChIKeyXBKLTKUNNHFFGC-UHFFFAOYSA-N
XLogP2.95
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate
CID 62011302
1-methoxy-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propan-2-ol
CID 62015754
2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
CID 60712307
3-methyl-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468711
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
2-ethyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]butanamide
CID 110415415
2-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanoic acid
CID 64916269
methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 55892178
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate
CID 24619120
3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 99628868
2-[cyclopropyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]acetic acid
CID 60834843
methyl 4-(2-methylpropyl)-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 55645535

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate (CID 60965751) is methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate is COC(=O)C(C)CN(C)Cc1nc(-c2cccs2)oc1C.
What is the InChIKey of methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate?
The InChIKey is XBKLTKUNNHFFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10(15(18)19-4)8-17(3)9-12-11(2)20-14(16-12)13-6-5-7-21-13/h5-7,10H,8-9H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate?
methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate has a molecular weight of 308.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]propanoate is sourced from PubChem (CID 60965751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).