N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine

C17H19N5O2 — CID 77084858

IUPACN-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
SMILESCOCc1ncc(CN(C)Cc2cc(-c3ccccn3)no2)cn1
InChIInChI=1S/C17H19N5O2/c1-22(10-13-8-19-17(12-23-2)20-9-13)11-14-7-16(21-24-14)15-5-3-4-6-18-15/h3-9H,10-12H2,1-2H3
InChIKeyPYRXYGXEMGNCEZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.31
Rot. Bonds7

About N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine

N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine (PubChem CID 77084858) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
PubChem CID77084858
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
SMILESCOCc1ncc(CN(C)Cc2cc(-c3ccccn3)no2)cn1
InChIInChI=1S/C17H19N5O2/c1-22(10-13-8-19-17(12-23-2)20-9-13)11-14-7-16(21-24-14)15-5-3-4-6-18-15/h3-9H,10-12H2,1-2H3
InChIKeyPYRXYGXEMGNCEZ-UHFFFAOYSA-N
XLogP2.31
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 74243670
N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 135116476
5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
CID 134704491
N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide
CID 131893335
5-(methoxymethyl)-2-pyridin-2-ylpyridine
CID 58454942
N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 72871521
6-methyl-3-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56714804
N-methyl-1-(5-pyrazolidin-3-ylthiophen-2-yl)-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 133108043
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
CID 56888188
(4R)-4-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 125165131
N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 171686507
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56717670

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine (CID 77084858) is N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine is COCc1ncc(CN(C)Cc2cc(-c3ccccn3)no2)cn1.
What is the InChIKey of N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine?
The InChIKey is PYRXYGXEMGNCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-22(10-13-8-19-17(12-23-2)20-9-13)11-14-7-16(21-24-14)15-5-3-4-6-18-15/h3-9H,10-12H2,1-2H3.
What are the key properties of N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine?
N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine has a molecular weight of 325.37 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 77084858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).