N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine

C20H23N3O — CID 56671831

IUPACN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCCCCc1ccc(-c2nc(CNCc3cccnc3)co2)cc1
InChIInChI=1S/C20H23N3O/c1-2-3-5-16-7-9-18(10-8-16)20-23-19(15-24-20)14-22-13-17-6-4-11-21-12-17/h4,6-12,15,22H,2-3,5,13-14H2,1H3
InChIKeyPVXCYXWPFVLGLR-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.37
Rot. Bonds8

About N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine

N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 56671831) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID56671831
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCCCCc1ccc(-c2nc(CNCc3cccnc3)co2)cc1
InChIInChI=1S/C20H23N3O/c1-2-3-5-16-7-9-18(10-8-16)20-23-19(15-24-20)14-22-13-17-6-4-11-21-12-17/h4,6-12,15,22H,2-3,5,13-14H2,1H3
InChIKeyPVXCYXWPFVLGLR-UHFFFAOYSA-N
XLogP4.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine (CID 56671831) is N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine is CCCCc1ccc(-c2nc(CNCc3cccnc3)co2)cc1.
What is the InChIKey of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is PVXCYXWPFVLGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-3-5-16-7-9-18(10-8-16)20-23-19(15-24-20)14-22-13-17-6-4-11-21-12-17/h4,6-12,15,22H,2-3,5,13-14H2,1H3.
What are the key properties of N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 321.42 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 56671831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).