4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole

C12H20N2O — CID 105462186

IUPAC4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
SMILESCc1nc(CC2CCCN2)oc1C(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)12-9(3)14-11(15-12)7-10-5-4-6-13-10/h8,10,13H,4-7H2,1-3H3
InChIKeyJUYAWTLCLGSZHG-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.40
Rot. Bonds3

About 4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole

4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole (PubChem CID 105462186) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
PubChem CID105462186
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
SMILESCc1nc(CC2CCCN2)oc1C(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)12-9(3)14-11(15-12)7-10-5-4-6-13-10/h8,10,13H,4-7H2,1-3H3
InChIKeyJUYAWTLCLGSZHG-UHFFFAOYSA-N
XLogP2.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole 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

5-methyl-2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 105462154
4-ethyl-5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 105462178
5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372317
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol
CID 125493206
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 84657560
6-methyl-2-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 83859316
N-ethyl-N-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 116808442
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732
4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 114765024
1-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616386

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
The IUPAC name of 4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole (CID 105462186) is 4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
The canonical SMILES for 4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole is Cc1nc(CC2CCCN2)oc1C(C)C.
What is the InChIKey of 4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
The InChIKey is JUYAWTLCLGSZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)12-9(3)14-11(15-12)7-10-5-4-6-13-10/h8,10,13H,4-7H2,1-3H3.
What are the key properties of 4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole has a molecular weight of 208.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 105462186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).