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

C17H25N5O2 — CID 71872592

IUPACN-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine
SMILESCCN(CC1CN(Cc2nc(C)c(C)o2)CCO1)c1cccnn1
InChIInChI=1S/C17H25N5O2/c1-4-22(16-6-5-7-18-20-16)11-15-10-21(8-9-23-15)12-17-19-13(2)14(3)24-17/h5-7,15H,4,8-12H2,1-3H3
InChIKeySWNHSPNOJSPUCD-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.81
Rot. Bonds6

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

N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine (PubChem CID 71872592) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine.

Molecular Properties

Compound NameN-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine
PubChem CID71872592
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine
SMILESCCN(CC1CN(Cc2nc(C)c(C)o2)CCO1)c1cccnn1
InChIInChI=1S/C17H25N5O2/c1-4-22(16-6-5-7-18-20-16)11-15-10-21(8-9-23-15)12-17-19-13(2)14(3)24-17/h5-7,15H,4,8-12H2,1-3H3
InChIKeySWNHSPNOJSPUCD-UHFFFAOYSA-N
XLogP1.81
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine?
The IUPAC name of N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine (CID 71872592) is N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine.
What is the SMILES notation for N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine?
The canonical SMILES for N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine is CCN(CC1CN(Cc2nc(C)c(C)o2)CCO1)c1cccnn1.
What is the InChIKey of N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine?
The InChIKey is SWNHSPNOJSPUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-22(16-6-5-7-18-20-16)11-15-10-21(8-9-23-15)12-17-19-13(2)14(3)24-17/h5-7,15H,4,8-12H2,1-3H3.
What are the key properties of N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine?
N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine has a molecular weight of 331.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine is sourced from PubChem (CID 71872592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).