methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate

C16H24N2O4 — CID 95934024

IUPACmethyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)C[C@H](NC(=O)c1oc(C)nc1C)C1CCCCC1
InChIInChI=1S/C16H24N2O4/c1-10-15(22-11(2)17-10)16(20)18-13(9-14(19)21-3)12-7-5-4-6-8-12/h12-13H,4-9H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyMNMMWFWOADKTPZ-ZDUSSCGKSA-N
MW308.38 g/mol
LogP2.53
Rot. Bonds5

About methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate

methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate (PubChem CID 95934024) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
PubChem CID95934024
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namemethyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)C[C@H](NC(=O)c1oc(C)nc1C)C1CCCCC1
InChIInChI=1S/C16H24N2O4/c1-10-15(22-11(2)17-10)16(20)18-13(9-14(19)21-3)12-7-5-4-6-8-12/h12-13H,4-9H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyMNMMWFWOADKTPZ-ZDUSSCGKSA-N
XLogP2.53
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)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

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate?
The IUPAC name of methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate (CID 95934024) is methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate is COC(=O)C[C@H](NC(=O)c1oc(C)nc1C)C1CCCCC1.
What is the InChIKey of methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate?
The InChIKey is MNMMWFWOADKTPZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-10-15(22-11(2)17-10)16(20)18-13(9-14(19)21-3)12-7-5-4-6-8-12/h12-13H,4-9H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate?
methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate has a molecular weight of 308.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-cyclohexyl-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 95934024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).