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

C12H22N2O — CID 61469630

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1nc(C)c(C)o1)C(C)C
InChIInChI=1S/C12H22N2O/c1-6-11(8(2)3)13-7-12-14-9(4)10(5)15-12/h8,11,13H,6-7H2,1-5H3
InChIKeyRMPYUJBSYSWXQC-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.82
Rot. Bonds5

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine (PubChem CID 61469630) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine
PubChem CID61469630
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1nc(C)c(C)o1)C(C)C
InChIInChI=1S/C12H22N2O/c1-6-11(8(2)3)13-7-12-14-9(4)10(5)15-12/h8,11,13H,6-7H2,1-5H3
InChIKeyRMPYUJBSYSWXQC-UHFFFAOYSA-N
XLogP2.82
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol
CID 79248987
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine
CID 106370363
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-phenylbutan-2-amine
CID 104787618
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-fluorophenyl)propan-1-amine
CID 106370255
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 106370395
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 103912826
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
CID 106370529
1-(4-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54965551
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid
CID 106372714
1-(2,4-dichloro-5-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103912719
N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 114180427
1-(2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54964828

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine (CID 61469630) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine is CCC(NCc1nc(C)c(C)o1)C(C)C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine?
The InChIKey is RMPYUJBSYSWXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-6-11(8(2)3)13-7-12-14-9(4)10(5)15-12/h8,11,13H,6-7H2,1-5H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine has a molecular weight of 210.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine is sourced from PubChem (CID 61469630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).