1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine

C20H29N3O2 — CID 138001166

IUPAC1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCCCOc1ccc(CNCc2cc(C3CCNCC3)no2)c(C)c1
InChIInChI=1S/C20H29N3O2/c1-3-10-24-18-5-4-17(15(2)11-18)13-22-14-19-12-20(23-25-19)16-6-8-21-9-7-16/h4-5,11-12,16,21-22H,3,6-10,13-14H2,1-2H3
InChIKeySOMXROJYQQWOMJ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.53
Rot. Bonds8

About 1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine

1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 138001166) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID138001166
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCCCOc1ccc(CNCc2cc(C3CCNCC3)no2)c(C)c1
InChIInChI=1S/C20H29N3O2/c1-3-10-24-18-5-4-17(15(2)11-18)13-22-14-19-12-20(23-25-19)16-6-8-21-9-7-16/h4-5,11-12,16,21-22H,3,6-10,13-14H2,1-2H3
InChIKeySOMXROJYQQWOMJ-UHFFFAOYSA-N
XLogP3.53
TPSA59.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine (CID 138001166) is 1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine is CCCOc1ccc(CNCc2cc(C3CCNCC3)no2)c(C)c1.
What is the InChIKey of 1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is SOMXROJYQQWOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-10-24-18-5-4-17(15(2)11-18)13-22-14-19-12-20(23-25-19)16-6-8-21-9-7-16/h4-5,11-12,16,21-22H,3,6-10,13-14H2,1-2H3.
What are the key properties of 1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine?
1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 343.47 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-propoxyphenyl)-N-[(3-piperidin-4-yl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 138001166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).