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

C16H23N5O2 — CID 71872624

IUPACN-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
SMILESCc1nc(CN2CCOC(CN(C)c3cccnn3)C2)oc1C
InChIInChI=1S/C16H23N5O2/c1-12-13(2)23-16(18-12)11-21-7-8-22-14(10-21)9-20(3)15-5-4-6-17-19-15/h4-6,14H,7-11H2,1-3H3
InChIKeyCDFYVNLZHRCHQJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.42
Rot. Bonds5

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

N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine (PubChem CID 71872624) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
PubChem CID71872624
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
SMILESCc1nc(CN2CCOC(CN(C)c3cccnn3)C2)oc1C
InChIInChI=1S/C16H23N5O2/c1-12-13(2)23-16(18-12)11-21-7-8-22-14(10-21)9-20(3)15-5-4-6-17-19-15/h4-6,14H,7-11H2,1-3H3
InChIKeyCDFYVNLZHRCHQJ-UHFFFAOYSA-N
XLogP1.42
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.42
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-methylpyridazin-3-amine?
The IUPAC name of N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine (CID 71872624) is N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine.
What is the SMILES notation for N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine?
The canonical SMILES for N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine is Cc1nc(CN2CCOC(CN(C)c3cccnn3)C2)oc1C.
What is the InChIKey of N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine?
The InChIKey is CDFYVNLZHRCHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12-13(2)23-16(18-12)11-21-7-8-22-14(10-21)9-20(3)15-5-4-6-17-19-15/h4-6,14H,7-11H2,1-3H3.
What are the key properties of N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine?
N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine has a molecular weight of 317.39 g/mol, XLogP of 1.42, 5 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-methylpyridazin-3-amine is sourced from PubChem (CID 71872624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).