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

C23H32N8O4 — CID 98732175

IUPAC(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]butanamide
SMILESCC[C@H](C(=O)Nc1cc(C)on1)N([C@@H]1CCc2nnc(C)n2C1)[C@H](CC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C23H32N8O4/c1-6-17(22(32)24-19-10-13(3)34-28-19)31(16-8-9-21-27-26-15(5)30(21)12-16)18(7-2)23(33)25-20-11-14(4)35-29-20/h10-11,16-18H,6-9,12H2,1-5H3,(H,24,28,32)(H,25,29,33)/t16-,17-,18-/m1/s1
InChIKeyCFZHJZFTJOQTIU-KZNAEPCWSA-N
MW484.56 g/mol
LogP2.63
Rot. Bonds9

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

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]butanamide (PubChem CID 98732175) has the molecular formula C23H32N8O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]butanamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]butanamide
PubChem CID98732175
Molecular FormulaC23H32N8O4
Molecular Weight484.56 g/mol
Exact Mass484.25
IUPAC Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]butanamide
SMILESCC[C@H](C(=O)Nc1cc(C)on1)N([C@@H]1CCc2nnc(C)n2C1)[C@H](CC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C23H32N8O4/c1-6-17(22(32)24-19-10-13(3)34-28-19)31(16-8-9-21-27-26-15(5)30(21)12-16)18(7-2)23(33)25-20-11-14(4)35-29-20/h10-11,16-18H,6-9,12H2,1-5H3,(H,24,28,32)(H,25,29,33)/t16-,17-,18-/m1/s1
InChIKeyCFZHJZFTJOQTIU-KZNAEPCWSA-N
XLogP2.63
TPSA144.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]propanamide
CID 167885182
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
2-[methyl-[(4-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17412930
(2R)-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40880591
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide
CID 55544203
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
(2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 95282319
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24560962
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 34710973
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
CID 94031927
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417
(2S)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95295579

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]butanamide?
The IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]butanamide (CID 98732175) is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]butanamide.
What is the SMILES notation for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]butanamide?
The canonical SMILES for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]butanamide is CC[C@H](C(=O)Nc1cc(C)on1)N([C@@H]1CCc2nnc(C)n2C1)[C@H](CC)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]butanamide?
The InChIKey is CFZHJZFTJOQTIU-KZNAEPCWSA-N. The full InChI is InChI=1S/C23H32N8O4/c1-6-17(22(32)24-19-10-13(3)34-28-19)31(16-8-9-21-27-26-15(5)30(21)12-16)18(7-2)23(33)25-20-11-14(4)35-29-20/h10-11,16-18H,6-9,12H2,1-5H3,(H,24,28,32)(H,25,29,33)/t16-,17-,18-/m1/s1.
What are the key properties of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]butanamide?
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]butanamide has a molecular weight of 484.56 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]butanamide is sourced from PubChem (CID 98732175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).