N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine

C17H27N5O2 — CID 167753178

IUPACN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESCCc1nn(C)c(OC)c1CNC1CCOC(c2cncn2C)C1
InChIInChI=1S/C17H27N5O2/c1-5-14-13(17(23-4)22(3)20-14)9-19-12-6-7-24-16(8-12)15-10-18-11-21(15)2/h10-12,16,19H,5-9H2,1-4H3
InChIKeyDTRHWMYORPJMDL-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.73
Rot. Bonds6

About N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine

N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine (PubChem CID 167753178) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine.

Molecular Properties

Compound NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
PubChem CID167753178
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
SMILESCCc1nn(C)c(OC)c1CNC1CCOC(c2cncn2C)C1
InChIInChI=1S/C17H27N5O2/c1-5-14-13(17(23-4)22(3)20-14)9-19-12-6-7-24-16(8-12)15-10-18-11-21(15)2/h10-12,16,19H,5-9H2,1-4H3
InChIKeyDTRHWMYORPJMDL-UHFFFAOYSA-N
XLogP1.73
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide
CID 167956330
6-methyl-2-[[[2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-3-ol
CID 128998219
2-methoxy-5-[[[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]benzonitrile
CID 129475626
(2R,4R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129340876
(2S,4S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129475983
N,N-dimethyl-3-[[[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]amino]methyl]pyridin-4-amine
CID 129474127
(2R,4S)-2-(3-methylimidazol-4-yl)-N-[(5-phenoxyfuran-2-yl)methyl]oxan-4-amine
CID 129476076
3-ethyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129331407
(2S,4R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129334782
(2R,4S)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129475953
(2S,4S)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129475955
(2R,4S)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-2-(3-methylimidazol-4-yl)oxan-4-amine
CID 129473318

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The IUPAC name of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine (CID 167753178) is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine.
What is the SMILES notation for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The canonical SMILES for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine is CCc1nn(C)c(OC)c1CNC1CCOC(c2cncn2C)C1.
What is the InChIKey of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
The InChIKey is DTRHWMYORPJMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-5-14-13(17(23-4)22(3)20-14)9-19-12-6-7-24-16(8-12)15-10-18-11-21(15)2/h10-12,16,19H,5-9H2,1-4H3.
What are the key properties of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine?
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine has a molecular weight of 333.44 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-2-(3-methylimidazol-4-yl)oxan-4-amine is sourced from PubChem (CID 167753178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).