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

C12H20N2O — CID 105462154

IUPAC5-methyl-2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1,3-oxazole
SMILESCc1oc(C(C)C)nc1CC1CCCN1
InChIInChI=1S/C12H20N2O/c1-8(2)12-14-11(9(3)15-12)7-10-5-4-6-13-10/h8,10,13H,4-7H2,1-3H3
InChIKeyVOOFMQFIIJJMKF-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.40
Rot. Bonds3

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

5-methyl-2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1,3-oxazole (PubChem CID 105462154) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1,3-oxazole
PubChem CID105462154
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name5-methyl-2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1,3-oxazole
SMILESCc1oc(C(C)C)nc1CC1CCCN1
InChIInChI=1S/C12H20N2O/c1-8(2)12-14-11(9(3)15-12)7-10-5-4-6-13-10/h8,10,13H,4-7H2,1-3H3
InChIKeyVOOFMQFIIJJMKF-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

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Related Compounds

4-methyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 105462186
4-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-oxazole
CID 84734264
4-ethyl-5-methyl-2-(piperidin-2-ylmethyl)-1,3-oxazole
CID 105462178
4-ethyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62542496
5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 78969916
4-methyl-2-(piperidin-2-ylmethyl)-6-propan-2-ylpyrimidine
CID 116893518
4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole
CID 106924606
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
N-(piperidin-2-ylmethyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 106633538
4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62540204
2-[5-methyl-2-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazol-4-yl]propan-2-ol
CID 125493206
2-(piperidin-2-ylmethyl)-3,6-di(propan-2-yl)phenol
CID 117441122

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-methyl-2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1,3-oxazole (CID 105462154) is 5-methyl-2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1,3-oxazole is Cc1oc(C(C)C)nc1CC1CCCN1.
What is the InChIKey of 5-methyl-2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
The InChIKey is VOOFMQFIIJJMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)12-14-11(9(3)15-12)7-10-5-4-6-13-10/h8,10,13H,4-7H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1,3-oxazole?
5-methyl-2-propan-2-yl-4-(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 5-methyl-2-propan-2-yl-4-(pyrrolidin-2-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 105462154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).