(2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine

C17H21N5O2 — CID 95292873

IUPAC(2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCOc1ccccc1-c1noc(CN[C@@H](C)Cn2cc(C)cn2)n1
InChIInChI=1S/C17H21N5O2/c1-12-8-19-22(10-12)11-13(2)18-9-16-20-17(21-24-16)14-6-4-5-7-15(14)23-3/h4-8,10,13,18H,9,11H2,1-3H3/t13-/m0/s1
InChIKeyWIZZGCLTFYVJHU-ZDUSSCGKSA-N
MW327.39 g/mol
LogP2.43
Rot. Bonds7

About (2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine

(2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (PubChem CID 95292873) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
PubChem CID95292873
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCOc1ccccc1-c1noc(CN[C@@H](C)Cn2cc(C)cn2)n1
InChIInChI=1S/C17H21N5O2/c1-12-8-19-22(10-12)11-13(2)18-9-16-20-17(21-24-16)14-6-4-5-7-15(14)23-3/h4-8,10,13,18H,9,11H2,1-3H3/t13-/m0/s1
InChIKeyWIZZGCLTFYVJHU-ZDUSSCGKSA-N
XLogP2.43
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 56722162
(2R,3S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95759561
(2S)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290661
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
CID 95311797
2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
CID 119947767
2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylbenzenesulfonamide
CID 110322963
5-(indazol-1-ylmethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 29153480
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 17446085
(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 95293127
(2S)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95750404
1-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-N-methyl-2-N-phenylbenzene-1,2-diamine
CID 55897271
3-(2-methoxyphenyl)-5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 30728604

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The IUPAC name of (2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (CID 95292873) is (2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine is COc1ccccc1-c1noc(CN[C@@H](C)Cn2cc(C)cn2)n1.
What is the InChIKey of (2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The InChIKey is WIZZGCLTFYVJHU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-8-19-22(10-12)11-13(2)18-9-16-20-17(21-24-16)14-6-4-5-7-15(14)23-3/h4-8,10,13,18H,9,11H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
(2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine has a molecular weight of 327.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 95292873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).