1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine

C15H16N4O3 — CID 91839897

IUPAC1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine
SMILESCOc1ccnc(CN(Cc2cocn2)Cc2cocn2)c1
InChIInChI=1S/C15H16N4O3/c1-20-15-2-3-16-12(4-15)5-19(6-13-8-21-10-17-13)7-14-9-22-11-18-14/h2-4,8-11H,5-7H2,1H3
InChIKeyXIBBGQUTWLVKTA-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.27
Rot. Bonds7

About 1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine

1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine (PubChem CID 91839897) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine
PubChem CID91839897
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine
SMILESCOc1ccnc(CN(Cc2cocn2)Cc2cocn2)c1
InChIInChI=1S/C15H16N4O3/c1-20-15-2-3-16-12(4-15)5-19(6-13-8-21-10-17-13)7-14-9-22-11-18-14/h2-4,8-11H,5-7H2,1H3
InChIKeyXIBBGQUTWLVKTA-UHFFFAOYSA-N
XLogP2.27
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine (CID 91839897) is 1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine is COc1ccnc(CN(Cc2cocn2)Cc2cocn2)c1.
What is the InChIKey of 1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine?
The InChIKey is XIBBGQUTWLVKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-20-15-2-3-16-12(4-15)5-19(6-13-8-21-10-17-13)7-14-9-22-11-18-14/h2-4,8-11H,5-7H2,1H3.
What are the key properties of 1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine?
1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine has a molecular weight of 300.32 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-pyridinyl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine is sourced from PubChem (CID 91839897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).