ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate

C20H28N4O4 — CID 22961324

IUPACethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc([C@@H](CCc2ccccc2)NC(=O)[C@H](N)CCCN)n1
InChIInChI=1S/C20H28N4O4/c1-2-27-20(26)17-13-28-19(24-17)16(11-10-14-7-4-3-5-8-14)23-18(25)15(22)9-6-12-21/h3-5,7-8,13,15-16H,2,6,9-12,21-22H2,1H3,(H,23,25)/t15-,16-/m1/s1
InChIKeyTVAPXXODYYANGA-HZPDHXFCSA-N
MW388.47 g/mol
LogP1.71
Rot. Bonds11

About ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate

ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate (PubChem CID 22961324) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate
PubChem CID22961324
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Nameethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc([C@@H](CCc2ccccc2)NC(=O)[C@H](N)CCCN)n1
InChIInChI=1S/C20H28N4O4/c1-2-27-20(26)17-13-28-19(24-17)16(11-10-14-7-4-3-5-8-14)23-18(25)15(22)9-6-12-21/h3-5,7-8,13,15-16H,2,6,9-12,21-22H2,1H3,(H,23,25)/t15-,16-/m1/s1
InChIKeyTVAPXXODYYANGA-HZPDHXFCSA-N
XLogP1.71
TPSA133.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

(2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide
CID 70210401
benzyl 2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropyl]-1,3-oxazole-4-carboxylate
CID 22961318
(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
CID 155539641
methyl 2-[(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-phenylbutyl]-1,3-oxazole-4-carboxylate
CID 59070128
benzyl N-(2,5-diaminopentanoyl)carbamate
CID 67793567
methyl 2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate
CID 101457357
(2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide
CID 57398373
benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
CID 5103806
benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
CID 3833643
ethyl 2-(5-aminopentylamino)-4-phenylbutanoate
CID 70340285
S-(2-ethylphenyl) (2S)-5-amino-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanethioate
CID 20662164
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate (CID 22961324) is ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc([C@@H](CCc2ccccc2)NC(=O)[C@H](N)CCCN)n1.
What is the InChIKey of ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate?
The InChIKey is TVAPXXODYYANGA-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-2-27-20(26)17-13-28-19(24-17)16(11-10-14-7-4-3-5-8-14)23-18(25)15(22)9-6-12-21/h3-5,7-8,13,15-16H,2,6,9-12,21-22H2,1H3,(H,23,25)/t15-,16-/m1/s1.
What are the key properties of ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate?
ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 1.71, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 22961324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).