(1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

C13H19F2N5O — CID 95902876

IUPAC(1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(C)c1noc([C@@H](C)N(C)Cc2nccn2C(F)F)n1
InChIInChI=1S/C13H19F2N5O/c1-8(2)11-17-12(21-18-11)9(3)19(4)7-10-16-5-6-20(10)13(14)15/h5-6,8-9,13H,7H2,1-4H3/t9-/m1/s1
InChIKeyYXPPBUAXVIGDDM-SECBINFHSA-N
MW299.33 g/mol
LogP2.98
Rot. Bonds6

About (1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine

(1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 95902876) has the molecular formula C13H19F2N5O and a molecular weight of 299.33 g/mol. Its IUPAC name is (1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID95902876
Molecular FormulaC13H19F2N5O
Molecular Weight299.33 g/mol
Exact Mass299.16
IUPAC Name(1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(C)c1noc([C@@H](C)N(C)Cc2nccn2C(F)F)n1
InChIInChI=1S/C13H19F2N5O/c1-8(2)11-17-12(21-18-11)9(3)19(4)7-10-16-5-6-20(10)13(14)15/h5-6,8-9,13H,7H2,1-4H3/t9-/m1/s1
InChIKeyYXPPBUAXVIGDDM-SECBINFHSA-N
XLogP2.98
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of (1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 95902876) is (1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for (1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for (1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is CC(C)c1noc([C@@H](C)N(C)Cc2nccn2C(F)F)n1.
What is the InChIKey of (1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is YXPPBUAXVIGDDM-SECBINFHSA-N. The full InChI is InChI=1S/C13H19F2N5O/c1-8(2)11-17-12(21-18-11)9(3)19(4)7-10-16-5-6-20(10)13(14)15/h5-6,8-9,13H,7H2,1-4H3/t9-/m1/s1.
What are the key properties of (1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine?
(1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 299.33 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 95902876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).