(2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide

C19H21N5O2 — CID 124755985

IUPAC(2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)N(C)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C19H21N5O2/c1-13-8-4-5-9-15(13)21-19(25)14(2)24(3)12-17-22-18(23-26-17)16-10-6-7-11-20-16/h4-11,14H,12H2,1-3H3,(H,21,25)/t14-/m0/s1
InChIKeyROJQWQRBFMYQHT-AWEZNQCLSA-N
MW351.41 g/mol
LogP2.90
Rot. Bonds6

About (2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide

(2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide (PubChem CID 124755985) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide
PubChem CID124755985
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)N(C)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C19H21N5O2/c1-13-8-4-5-9-15(13)21-19(25)14(2)24(3)12-17-22-18(23-26-17)16-10-6-7-11-20-16/h4-11,14H,12H2,1-3H3,(H,21,25)/t14-/m0/s1
InChIKeyROJQWQRBFMYQHT-AWEZNQCLSA-N
XLogP2.90
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide
CID 124755986
2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide
CID 134714053
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
(2R)-N-(2-methylphenyl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide
CID 124752037
[1-(2-acetylanilino)-1-oxopropan-2-yl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46428047
(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875727
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489
3-(2-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylthiourea
CID 17275620
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 97197907
N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide
CID 70765176
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
4-acetamido-2-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 131904550

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide (CID 124755985) is (2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide is Cc1ccccc1NC(=O)[C@H](C)N(C)Cc1nc(-c2ccccn2)no1.
What is the InChIKey of (2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide?
The InChIKey is ROJQWQRBFMYQHT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-8-4-5-9-15(13)21-19(25)14(2)24(3)12-17-22-18(23-26-17)16-10-6-7-11-20-16/h4-11,14H,12H2,1-3H3,(H,21,25)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide?
(2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide is sourced from PubChem (CID 124755985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).