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

C8H12F2N2O — CID 115407071

IUPACN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2-difluoroethanamine
SMILESCc1nc(C)c(CNCC(F)F)o1
InChIInChI=1S/C8H12F2N2O/c1-5-7(13-6(2)12-5)3-11-4-8(9)10/h8,11H,3-4H2,1-2H3
InChIKeyTUKZXULMOCADBW-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.65
Rot. Bonds4

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

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2-difluoroethanamine (PubChem CID 115407071) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2-difluoroethanamine
PubChem CID115407071
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2-difluoroethanamine
SMILESCc1nc(C)c(CNCC(F)F)o1
InChIInChI=1S/C8H12F2N2O/c1-5-7(13-6(2)12-5)3-11-4-8(9)10/h8,11H,3-4H2,1-2H3
InChIKeyTUKZXULMOCADBW-UHFFFAOYSA-N
XLogP1.65
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Aminomethyl)-2,5-dimethyl-1,3-oxazole
CID 16658924
(Dimethyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 118991322
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47360646
(2-Ethyl-4-methyl-1,3-oxazol-5-yl)methanamine hydrochloride
CID 119031976
1-[(Dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane
CID 53532524
1-acetyl-N-[(4-methyl-2-propan-2-yl-1,3-oxazol-5-yl)methyl]azetidine-3-carboxamide
CID 138035626
2-ethyl-4-methyl-5-[[(3R)-3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 164639100
(2,4-Dimethyloxazol-5-yl)methanamine
CID 22343507
[4-Methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-oxazol-5-yl]methanamine
CID 57571504
N-[[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 121293284
N-methyl-1-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methanamine
CID 123495794
2,5-Dimethyl-4-(trifluoromethyl)-1,3-oxazole;ethane
CID 142085256

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2-difluoroethanamine (CID 115407071) is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2-difluoroethanamine is Cc1nc(C)c(CNCC(F)F)o1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is TUKZXULMOCADBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-5-7(13-6(2)12-5)3-11-4-8(9)10/h8,11H,3-4H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2-difluoroethanamine?
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 190.19 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115407071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).