(2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide

C24H30N4O2 — CID 70210401

IUPAC(2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide
SMILESNCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)c1nc(Cc2ccccc2)co1
InChIInChI=1S/C24H30N4O2/c25-15-7-12-21(26)23(29)28-22(14-13-18-8-3-1-4-9-18)24-27-20(17-30-24)16-19-10-5-2-6-11-19/h1-6,8-11,17,21-22H,7,12-16,25-26H2,(H,28,29)/t21-,22-/m1/s1
InChIKeyGXCHDUYXNBZWIR-FGZHOGPDSA-N
MW406.53 g/mol
LogP3.12
Rot. Bonds11

About (2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide

(2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide (PubChem CID 70210401) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is (2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide.

Molecular Properties

Compound Name(2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide
PubChem CID70210401
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name(2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide
SMILESNCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)c1nc(Cc2ccccc2)co1
InChIInChI=1S/C24H30N4O2/c25-15-7-12-21(26)23(29)28-22(14-13-18-8-3-1-4-9-18)24-27-20(17-30-24)16-19-10-5-2-6-11-19/h1-6,8-11,17,21-22H,7,12-16,25-26H2,(H,28,29)/t21-,22-/m1/s1
InChIKeyGXCHDUYXNBZWIR-FGZHOGPDSA-N
XLogP3.12
TPSA107.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[(1R)-1-[[(2R)-2,5-diaminopentanoyl]amino]-3-phenylpropyl]-1,3-oxazole-4-carboxylate
CID 22961324
(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
CID 155539641
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
benzyl N-(2,5-diaminopentanoyl)carbamate
CID 67793567
(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide;dihydrochloride
CID 76973395
(2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide
CID 57398373
2,5-diaminopentanoic acid;2,5-diamino-N-(1-phenylpropan-2-yl)pentanamide;1-phenylpropan-2-amine
CID 159256589
benzyl 6-amino-2-(2,6-diaminohexanoylamino)hexanoate
CID 57051472
2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide
CID 143988274
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide
CID 123654597
[(1R)-1-[[(2S)-2,6-diaminohexanoyl]amino]-2-phenylethyl]boronic acid
CID 74765795

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide?
The IUPAC name of (2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide (CID 70210401) is (2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide.
What is the SMILES notation for (2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide?
The canonical SMILES for (2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide is NCCC[C@@H](N)C(=O)N[C@H](CCc1ccccc1)c1nc(Cc2ccccc2)co1.
What is the InChIKey of (2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide?
The InChIKey is GXCHDUYXNBZWIR-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H30N4O2/c25-15-7-12-21(26)23(29)28-22(14-13-18-8-3-1-4-9-18)24-27-20(17-30-24)16-19-10-5-2-6-11-19/h1-6,8-11,17,21-22H,7,12-16,25-26H2,(H,28,29)/t21-,22-/m1/s1.
What are the key properties of (2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide?
(2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide has a molecular weight of 406.53 g/mol, XLogP of 3.12, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-diamino-N-[(1R)-1-(4-benzyl-1,3-oxazol-2-yl)-3-phenylpropyl]pentanamide is sourced from PubChem (CID 70210401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).