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

C17H21N7O2 — CID 97148008

IUPAC(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCc1nc(C)n(C[C@H](C)C(=O)N(C)Cc2nc(-c3ccncc3)no2)n1
InChIInChI=1S/C17H21N7O2/c1-11(9-24-13(3)19-12(2)21-24)17(25)23(4)10-15-20-16(22-26-15)14-5-7-18-8-6-14/h5-8,11H,9-10H2,1-4H3/t11-/m0/s1
InChIKeyBSANHINFRZGDFW-NSHDSACASA-N
MW355.40 g/mol
LogP1.63
Rot. Bonds6

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

(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 97148008) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID97148008
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCc1nc(C)n(C[C@H](C)C(=O)N(C)Cc2nc(-c3ccncc3)no2)n1
InChIInChI=1S/C17H21N7O2/c1-11(9-24-13(3)19-12(2)21-24)17(25)23(4)10-15-20-16(22-26-15)14-5-7-18-8-6-14/h5-8,11H,9-10H2,1-4H3/t11-/m0/s1
InChIKeyBSANHINFRZGDFW-NSHDSACASA-N
XLogP1.63
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide with MolForge

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Related Compounds

3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 70773837
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 95861634
(2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 97153527
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 96579384
N-methyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6463137
3-(1-imidazol-1-ylbutan-2-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 121496407
(2S)-2-(3,5-dimethylphenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 97267542
(2S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-phenoxypropanamide
CID 8874773
1-methyl-3-[1-(1-methylpiperidin-4-yl)ethyl]-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 122566587
3-(3-methoxy-1,5-dimethylpyrazol-4-yl)-1-methyl-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 72930512
(2R)-2-(4-methoxyphenoxy)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 7425589
N-methyl-2-naphthalen-1-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132658557

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 97148008) is (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is Cc1nc(C)n(C[C@H](C)C(=O)N(C)Cc2nc(-c3ccncc3)no2)n1.
What is the InChIKey of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is BSANHINFRZGDFW-NSHDSACASA-N. The full InChI is InChI=1S/C17H21N7O2/c1-11(9-24-13(3)19-12(2)21-24)17(25)23(4)10-15-20-16(22-26-15)14-5-7-18-8-6-14/h5-8,11H,9-10H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 355.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 97148008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).