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

C16H23N5O — CID 56778271

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESCc1nc(CN(C)CC2CCCN2c2cccnn2)oc1C
InChIInChI=1S/C16H23N5O/c1-12-13(2)22-16(18-12)11-20(3)10-14-6-5-9-21(14)15-7-4-8-17-19-15/h4,7-8,14H,5-6,9-11H2,1-3H3
InChIKeyMGWASJMRUYPOCB-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.18
Rot. Bonds5

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (PubChem CID 56778271) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
PubChem CID56778271
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
SMILESCc1nc(CN(C)CC2CCCN2c2cccnn2)oc1C
InChIInChI=1S/C16H23N5O/c1-12-13(2)22-16(18-12)11-20(3)10-14-6-5-9-21(14)15-7-4-8-17-19-15/h4,7-8,14H,5-6,9-11H2,1-3H3
InChIKeyMGWASJMRUYPOCB-UHFFFAOYSA-N
XLogP2.18
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine (CID 56778271) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is Cc1nc(CN(C)CC2CCCN2c2cccnn2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
The InChIKey is MGWASJMRUYPOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-13(2)22-16(18-12)11-20(3)10-14-6-5-9-21(14)15-7-4-8-17-19-15/h4,7-8,14H,5-6,9-11H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine has a molecular weight of 301.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 56778271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).