(2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide

C19H29N5O3 — CID 135678156

IUPAC(2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide
SMILESCC(C)[C@@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCCc1noc(N)n1
InChIInChI=1S/C19H29N5O3/c1-12(2)14(18(26)22-9-8-17-23-19(21)27-24-17)11-16(25)15(20)10-13-6-4-3-5-7-13/h3-7,12,14-16,25H,8-11,20H2,1-2H3,(H,22,26)(H2,21,23,24)/t14-,15+,16+/m1/s1
InChIKeyFPNIRZGBCMDZGC-PMPSAXMXSA-N
MW375.47 g/mol
LogP0.90
Rot. Bonds10

About (2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide

(2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide (PubChem CID 135678156) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide.

Molecular Properties

Compound Name(2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide
PubChem CID135678156
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name(2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide
SMILESCC(C)[C@@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCCc1noc(N)n1
InChIInChI=1S/C19H29N5O3/c1-12(2)14(18(26)22-9-8-17-23-19(21)27-24-17)11-16(25)15(20)10-13-6-4-3-5-7-13/h3-7,12,14-16,25H,8-11,20H2,1-2H3,(H,22,26)(H2,21,23,24)/t14-,15+,16+/m1/s1
InChIKeyFPNIRZGBCMDZGC-PMPSAXMXSA-N
XLogP0.90
TPSA140.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S,3S,5R)-5-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]-3-hydroxy-6-methyl-1-phenylheptan-2-yl]carbamate
CID 135598583
(2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide
CID 135775451
(2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide
CID 11725187
(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide
CID 68890744
(2R,4S)-5-amino-4-hydroxy-N-(2-hydroxyethyl)-2-(2-methylpropyl)-6-phenylhexanamide
CID 68900812
(2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide
CID 68890142
(2S)-2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-phenylacetamide
CID 106416224
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide
CID 106397820
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-hydroxy-3-phenylpropanamide
CID 77087549
(2R)-2-benzyl-3-methyl-N-propylbutanamide
CID 143577799
(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide
CID 57148272
(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119317575

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide?
The IUPAC name of (2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide (CID 135678156) is (2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide.
What is the SMILES notation for (2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide?
The canonical SMILES for (2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide is CC(C)[C@@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCCc1noc(N)n1.
What is the InChIKey of (2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide?
The InChIKey is FPNIRZGBCMDZGC-PMPSAXMXSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-12(2)14(18(26)22-9-8-17-23-19(21)27-24-17)11-16(25)15(20)10-13-6-4-3-5-7-13/h3-7,12,14-16,25H,8-11,20H2,1-2H3,(H,22,26)(H2,21,23,24)/t14-,15+,16+/m1/s1.
What are the key properties of (2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide?
(2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide has a molecular weight of 375.47 g/mol, XLogP of 0.90, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide is sourced from PubChem (CID 135678156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).