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

C11H14F2N4O — CID 102673203

IUPAC1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2nccn2C(F)F)oc1C
InChIInChI=1S/C11H14F2N4O/c1-7-8(2)18-10(16-7)6-14-5-9-15-3-4-17(9)11(12)13/h3-4,11,14H,5-6H2,1-2H3
InChIKeyDSIIPVGWGKVRQQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.17
Rot. Bonds5

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

1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 102673203) has the molecular formula C11H14F2N4O and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID102673203
Molecular FormulaC11H14F2N4O
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2nccn2C(F)F)oc1C
InChIInChI=1S/C11H14F2N4O/c1-7-8(2)18-10(16-7)6-14-5-9-15-3-4-17(9)11(12)13/h3-4,11,14H,5-6H2,1-2H3
InChIKeyDSIIPVGWGKVRQQ-UHFFFAOYSA-N
XLogP2.17
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

5-(3-Imidazol-1-yl-propylamino)-2-isopropyl-oxazole-4-carbonitrile
CID 646252
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4,5-dimethyl-1,3-oxazole
CID 86774834
2-(2,4-Dimethyl-1,3-oxazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-amine
CID 178259757
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine
CID 109428479
2-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109430561
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]guanidine;hydroiodide
CID 109431932
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]guanidine
CID 109431933
1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylguanidine
CID 111593185
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113429100
1-[1-(difluoromethyl)imidazol-2-yl]-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 113797245
1-[1-(difluoromethyl)imidazol-2-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 113797299
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 128966555

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 102673203) is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1nc(CNCc2nccn2C(F)F)oc1C.
What is the InChIKey of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is DSIIPVGWGKVRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O/c1-7-8(2)18-10(16-7)6-14-5-9-15-3-4-17(9)11(12)13/h3-4,11,14H,5-6H2,1-2H3.
What are the key properties of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 256.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 102673203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).