N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine

C20H19N5O2 — CID 28989340

IUPACN-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine
SMILESCc1ccccc1-c1noc(-c2ccc(N(C)[C@H](C)c3ccon3)nc2)n1
InChIInChI=1S/C20H19N5O2/c1-13-6-4-5-7-16(13)19-22-20(27-24-19)15-8-9-18(21-12-15)25(3)14(2)17-10-11-26-23-17/h4-12,14H,1-3H3/t14-/m1/s1
InChIKeyWKDYXUAVZFCJRV-CQSZACIVSA-N
MW361.41 g/mol
LogP4.29
Rot. Bonds5

About N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine

N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine (PubChem CID 28989340) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine
PubChem CID28989340
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine
SMILESCc1ccccc1-c1noc(-c2ccc(N(C)[C@H](C)c3ccon3)nc2)n1
InChIInChI=1S/C20H19N5O2/c1-13-6-4-5-7-16(13)19-22-20(27-24-19)15-8-9-18(21-12-15)25(3)14(2)17-10-11-26-23-17/h4-12,14H,1-3H3/t14-/m1/s1
InChIKeyWKDYXUAVZFCJRV-CQSZACIVSA-N
XLogP4.29
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 50964223
N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 45208311
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 798302
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine
CID 45216823
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 55165620
N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3800118
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine
CID 28871899
2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872205
(3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 95895530

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine (CID 28989340) is N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine is Cc1ccccc1-c1noc(-c2ccc(N(C)[C@H](C)c3ccon3)nc2)n1.
What is the InChIKey of N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine?
The InChIKey is WKDYXUAVZFCJRV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-6-4-5-7-16(13)19-22-20(27-24-19)15-8-9-18(21-12-15)25(3)14(2)17-10-11-26-23-17/h4-12,14H,1-3H3/t14-/m1/s1.
What are the key properties of N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine?
N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine has a molecular weight of 361.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 28989340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).