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

C11H20N2O — CID 115718218

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCc1c(C)noc1C
InChIInChI=1S/C11H20N2O/c1-5-8(2)12-7-6-11-9(3)13-14-10(11)4/h8,12H,5-7H2,1-4H3
InChIKeyQOEWQKSUPDIQAE-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.22
Rot. Bonds5

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

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine (PubChem CID 115718218) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine
PubChem CID115718218
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCc1c(C)noc1C
InChIInChI=1S/C11H20N2O/c1-5-8(2)12-7-6-11-9(3)13-14-10(11)4/h8,12H,5-7H2,1-4H3
InChIKeyQOEWQKSUPDIQAE-UHFFFAOYSA-N
XLogP2.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115688369
5-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]-2-fluorophenol
CID 146144866
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 62326528
(2S,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylpentan-2-amine
CID 97054312
(2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 129480409
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75428017
N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 115727487
(2S)-2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbutanamide
CID 119320910
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 110646318
N-[4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]ethyl]phenyl]methanesulfonamide
CID 91644789
ethyl N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamate
CID 110646305

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine (CID 115718218) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine is CCC(C)NCCc1c(C)noc1C.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine?
The InChIKey is QOEWQKSUPDIQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-8(2)12-7-6-11-9(3)13-14-10(11)4/h8,12H,5-7H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine has a molecular weight of 196.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine is sourced from PubChem (CID 115718218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).