N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine

C19H21N3O — CID 75435406

IUPACN-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine
SMILESCCC(c1ccncc1)N(C)Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C19H21N3O/c1-3-17(15-9-11-20-12-10-15)22(2)14-19-21-13-18(23-19)16-7-5-4-6-8-16/h4-13,17H,3,14H2,1-2H3
InChIKeyZBDNWQRPKLKPTK-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.32
Rot. Bonds6

About N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine

N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine (PubChem CID 75435406) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine
PubChem CID75435406
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine
SMILESCCC(c1ccncc1)N(C)Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C19H21N3O/c1-3-17(15-9-11-20-12-10-15)22(2)14-19-21-13-18(23-19)16-7-5-4-6-8-16/h4-13,17H,3,14H2,1-2H3
InChIKeyZBDNWQRPKLKPTK-UHFFFAOYSA-N
XLogP4.32
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine (CID 75435406) is N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine is CCC(c1ccncc1)N(C)Cc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine?
The InChIKey is ZBDNWQRPKLKPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-17(15-9-11-20-12-10-15)22(2)14-19-21-13-18(23-19)16-7-5-4-6-8-16/h4-13,17H,3,14H2,1-2H3.
What are the key properties of N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine?
N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 75435406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).