N-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine

C21H27N5O2 — CID 126462109

IUPACN-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
SMILESCOCC1CCCN(c2nc(CN(C)Cc3ccon3)nc3ccccc23)C1
InChIInChI=1S/C21H27N5O2/c1-25(13-17-9-11-28-24-17)14-20-22-19-8-4-3-7-18(19)21(23-20)26-10-5-6-16(12-26)15-27-2/h3-4,7-9,11,16H,5-6,10,12-15H2,1-2H3
InChIKeyIJUVOJXOJBQUHF-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.11
Rot. Bonds7

About N-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine

N-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 126462109) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
PubChem CID126462109
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
SMILESCOCC1CCCN(c2nc(CN(C)Cc3ccon3)nc3ccccc23)C1
InChIInChI=1S/C21H27N5O2/c1-25(13-17-9-11-28-24-17)14-20-22-19-8-4-3-7-18(19)21(23-20)26-10-5-6-16(12-26)15-27-2/h3-4,7-9,11,16H,5-6,10,12-15H2,1-2H3
InChIKeyIJUVOJXOJBQUHF-UHFFFAOYSA-N
XLogP3.11
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine (CID 126462109) is N-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine is COCC1CCCN(c2nc(CN(C)Cc3ccon3)nc3ccccc23)C1.
What is the InChIKey of N-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is IJUVOJXOJBQUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-25(13-17-9-11-28-24-17)14-20-22-19-8-4-3-7-18(19)21(23-20)26-10-5-6-16(12-26)15-27-2/h3-4,7-9,11,16H,5-6,10,12-15H2,1-2H3.
What are the key properties of N-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine?
N-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 381.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 126462109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).