(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine

C12H22N2O — CID 97047825

IUPAC(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine
SMILESCCC[C@@H](C)CNCc1c(C)noc1C
InChIInChI=1S/C12H22N2O/c1-5-6-9(2)7-13-8-12-10(3)14-15-11(12)4/h9,13H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyWJFAXDQHEGADDA-SECBINFHSA-N
MW210.32 g/mol
LogP2.82
Rot. Bonds6

About (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine

(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine (PubChem CID 97047825) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine.

Molecular Properties

Compound Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine
PubChem CID97047825
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine
SMILESCCC[C@@H](C)CNCc1c(C)noc1C
InChIInChI=1S/C12H22N2O/c1-5-6-9(2)7-13-8-12-10(3)14-15-11(12)4/h9,13H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyWJFAXDQHEGADDA-SECBINFHSA-N
XLogP2.82
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43210207
(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol
CID 79241777
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122482
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
(2S,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylpentan-2-amine
CID 97054312
2-(4-bromophenyl)sulfanyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-1-amine
CID 119127929
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
CID 28780758
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylheptan-2-amine
CID 43183570
2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide
CID 79236197
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43183533

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine?
The IUPAC name of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine (CID 97047825) is (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine.
What is the SMILES notation for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine?
The canonical SMILES for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine is CCC[C@@H](C)CNCc1c(C)noc1C.
What is the InChIKey of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine?
The InChIKey is WJFAXDQHEGADDA-SECBINFHSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-6-9(2)7-13-8-12-10(3)14-15-11(12)4/h9,13H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine?
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpentan-1-amine is sourced from PubChem (CID 97047825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).