(1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine

C18H19ClN4O — CID 124575331

IUPAC(1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCC(C)c1nc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)no1
InChIInChI=1S/C18H19ClN4O/c1-12(2)18-22-16(23-24-18)11-21-17(15-8-3-4-9-20-15)13-6-5-7-14(19)10-13/h3-10,12,17,21H,11H2,1-2H3/t17-/m1/s1
InChIKeyLYVZCEFDZIEUEW-QGZVFWFLSA-N
MW342.83 g/mol
LogP4.12
Rot. Bonds6

About (1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine

(1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 124575331) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID124575331
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name(1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCC(C)c1nc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)no1
InChIInChI=1S/C18H19ClN4O/c1-12(2)18-22-16(23-24-18)11-21-17(15-8-3-4-9-20-15)13-6-5-7-14(19)10-13/h3-10,12,17,21H,11H2,1-2H3/t17-/m1/s1
InChIKeyLYVZCEFDZIEUEW-QGZVFWFLSA-N
XLogP4.12
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine
CID 97075751
(1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 51645981
N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 124613569
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide
CID 96542751
N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63840842
1-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-ylmethyl)urea
CID 71970121
1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865877
2-(3-chlorophenyl)-2-pyridin-2-ylethanamine
CID 75357398
N-[naphthalen-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 62790514
4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide
CID 120597413
N-[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 97084688

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine (CID 124575331) is (1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine is CC(C)c1nc(CN[C@H](c2cccc(Cl)c2)c2ccccn2)no1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is LYVZCEFDZIEUEW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-12(2)18-22-16(23-24-18)11-21-17(15-8-3-4-9-20-15)13-6-5-7-14(19)10-13/h3-10,12,17,21H,11H2,1-2H3/t17-/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine?
(1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 342.83 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 124575331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).