(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide

C15H22N6O2 — CID 97069594

IUPAC(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide
SMILESCc1cc(NC(=O)[C@H](C)N[C@H](C)c2nnc3n2CCCC3)on1
InChIInChI=1S/C15H22N6O2/c1-9-8-13(23-20-9)17-15(22)11(3)16-10(2)14-19-18-12-6-4-5-7-21(12)14/h8,10-11,16H,4-7H2,1-3H3,(H,17,22)/t10-,11+/m1/s1
InChIKeyJPWVAHQDNWFOIF-MNOVXSKESA-N
MW318.38 g/mol
LogP1.59
Rot. Bonds5

About (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide

(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide (PubChem CID 97069594) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide
PubChem CID97069594
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide
SMILESCc1cc(NC(=O)[C@H](C)N[C@H](C)c2nnc3n2CCCC3)on1
InChIInChI=1S/C15H22N6O2/c1-9-8-13(23-20-9)17-15(22)11(3)16-10(2)14-19-18-12-6-4-5-7-21(12)14/h8,10-11,16H,4-7H2,1-3H3,(H,17,22)/t10-,11+/m1/s1
InChIKeyJPWVAHQDNWFOIF-MNOVXSKESA-N
XLogP1.59
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide with MolForge

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Related Compounds

(2R)-N-[(4-fluorophenyl)methyl]-2-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide
CID 97089766
tert-butyl (2R)-2-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanoate
CID 124737239
(2R)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720301
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]propanamide
CID 95568099
(2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 124614367
2-[1-(2-fluorophenyl)ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 42896225
1-(5-methylfuran-2-yl)-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]ethanamine
CID 43746959
2,2-difluoro-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 103515063
(2S)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720215
(2S)-N-cyclopropyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]acetamide
CID 97021677
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(methylamino)propanamide
CID 62637463
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124838853

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide?
The IUPAC name of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide (CID 97069594) is (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide?
The canonical SMILES for (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide is Cc1cc(NC(=O)[C@H](C)N[C@H](C)c2nnc3n2CCCC3)on1.
What is the InChIKey of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide?
The InChIKey is JPWVAHQDNWFOIF-MNOVXSKESA-N. The full InChI is InChI=1S/C15H22N6O2/c1-9-8-13(23-20-9)17-15(22)11(3)16-10(2)14-19-18-12-6-4-5-7-21(12)14/h8,10-11,16H,4-7H2,1-3H3,(H,17,22)/t10-,11+/m1/s1.
What are the key properties of (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide?
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide has a molecular weight of 318.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanamide is sourced from PubChem (CID 97069594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).