2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid

C23H33N7O6 — CID 162054837

IUPAC2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid
SMILESCCc1coc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.CN(CC(N)=O)C(=O)O
InChIInChI=1S/C19H25N5O3.C4H8N2O3/c1-4-14-11-27-18-23-22-16(24(14)18)15(21-17(25)19(2,3)20)12-26-10-13-8-6-5-7-9-13;1-6(4(8)9)2-3(5)7/h5-9,11,15H,4,10,12,20H2,1-3H3,(H,21,25);2H2,1H3,(H2,5,7)(H,8,9)/t15-;/m1./s1
InChIKeyYZAPUAJYOBKNTM-XFULWGLBSA-N
MW503.56 g/mol
LogP1.08
Rot. Bonds10

About 2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid

2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid (PubChem CID 162054837) has the molecular formula C23H33N7O6 and a molecular weight of 503.56 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid
PubChem CID162054837
Molecular FormulaC23H33N7O6
Molecular Weight503.56 g/mol
Exact Mass503.25
IUPAC Name2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid
SMILESCCc1coc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.CN(CC(N)=O)C(=O)O
InChIInChI=1S/C19H25N5O3.C4H8N2O3/c1-4-14-11-27-18-23-22-16(24(14)18)15(21-17(25)19(2,3)20)12-26-10-13-8-6-5-7-9-13;1-6(4(8)9)2-3(5)7/h5-9,11,15H,4,10,12,20H2,1-3H3,(H,21,25);2H2,1H3,(H2,5,7)(H,8,9)/t15-;/m1./s1
InChIKeyYZAPUAJYOBKNTM-XFULWGLBSA-N
XLogP1.08
TPSA191.31 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.56
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid with MolForge

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Related Compounds

[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,3]oxazolo[2,3-c][1,2,4]triazol-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate
CID 58783990
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;hydrochloride
CID 72941845
2-[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethyl N-(2-amino-2-oxoethyl)-N-methylcarbamate;methane
CID 160916904
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-[2-(dimethylamino)-2-oxoethyl]-N-methylcarbamate
CID 58783646
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-[(2-methylpyrazol-3-yl)methyl]carbamate
CID 58784068
2-amino-N-[(1S)-1-(5-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;methane
CID 159288015
2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[5-(pyridin-2-yloxymethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide
CID 58783721
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-(oxan-4-yl)carbamate
CID 58784145
[3-[(1S)-1-[(2-formamido-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate
CID 58783660
2-amino-2-methyl-N-[(1S)-1-[5-(3-morpholin-4-yl-3-oxopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylmethoxyethyl]propanamide;methane
CID 161186088
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methyl N-methyl-N-(2-methylsulfonylethyl)carbamate
CID 58783883
2-amino-2-methyl-N-[(1S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide
CID 10044493

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid?
The IUPAC name of 2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid (CID 162054837) is 2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid.
What is the SMILES notation for 2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid?
The canonical SMILES for 2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid is CCc1coc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.CN(CC(N)=O)C(=O)O.
What is the InChIKey of 2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid?
The InChIKey is YZAPUAJYOBKNTM-XFULWGLBSA-N. The full InChI is InChI=1S/C19H25N5O3.C4H8N2O3/c1-4-14-11-27-18-23-22-16(24(14)18)15(21-17(25)19(2,3)20)12-26-10-13-8-6-5-7-9-13;1-6(4(8)9)2-3(5)7/h5-9,11,15H,4,10,12,20H2,1-3H3,(H,21,25);2H2,1H3,(H2,5,7)(H,8,9)/t15-;/m1./s1.
What are the key properties of 2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid?
2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid has a molecular weight of 503.56 g/mol, XLogP of 1.08, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(5-ethyl-[1,3]oxazolo[2,3-c][1,2,4]triazol-3-yl)-2-phenylmethoxyethyl]-2-methylpropanamide;(2-amino-2-oxoethyl)-methylcarbamic acid is sourced from PubChem (CID 162054837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).