4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid

C12H18N2O4 — CID 66235796

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
SMILESCc1nc(CN(C)C2COCC2C(=O)O)oc1C
InChIInChI=1S/C12H18N2O4/c1-7-8(2)18-11(13-7)4-14(3)10-6-17-5-9(10)12(15)16/h9-10H,4-6H2,1-3H3,(H,15,16)
InChIKeyNJKSMSPKEIYWMR-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.82
Rot. Bonds4

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid

4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 66235796) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
PubChem CID66235796
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
SMILESCc1nc(CN(C)C2COCC2C(=O)O)oc1C
InChIInChI=1S/C12H18N2O4/c1-7-8(2)18-11(13-7)4-14(3)10-6-17-5-9(10)12(15)16/h9-10H,4-6H2,1-3H3,(H,15,16)
InChIKeyNJKSMSPKEIYWMR-UHFFFAOYSA-N
XLogP0.82
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid 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

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236406
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236625
4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 79595785
4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid
CID 112641436
4-[(2,3-dimethylphenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66266113
4-[(5-ethylthiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237650
4-[(5-bromothiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66238008
4-[(2-bromophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237808
4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 79977911
4-[(2-chlorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237823
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236613

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid (CID 66235796) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid is Cc1nc(CN(C)C2COCC2C(=O)O)oc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is NJKSMSPKEIYWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-7-8(2)18-11(13-7)4-14(3)10-6-17-5-9(10)12(15)16/h9-10H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).