2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine

C13H17N3O — CID 65239548

IUPAC2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cnoc1-c1ccncc1
InChIInChI=1S/C13H17N3O/c1-13(2,3)15-8-11-9-16-17-12(11)10-4-6-14-7-5-10/h4-7,9,15H,8H2,1-3H3
InChIKeyHAJDJKNKWIORDO-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.62
Rot. Bonds3

About 2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine

2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine (PubChem CID 65239548) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine
PubChem CID65239548
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cnoc1-c1ccncc1
InChIInChI=1S/C13H17N3O/c1-13(2,3)15-8-11-9-16-17-12(11)10-4-6-14-7-5-10/h4-7,9,15H,8H2,1-3H3
InChIKeyHAJDJKNKWIORDO-UHFFFAOYSA-N
XLogP2.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine (CID 65239548) is 2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine is CC(C)(C)NCc1cnoc1-c1ccncc1.
What is the InChIKey of 2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine?
The InChIKey is HAJDJKNKWIORDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2,3)15-8-11-9-16-17-12(11)10-4-6-14-7-5-10/h4-7,9,15H,8H2,1-3H3.
What are the key properties of 2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine?
2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 65239548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).