(2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide

C25H38N4O5 — CID 10390153

IUPAC(2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide
SMILESCC[C@@H](NC(=O)[C@H](CC(=O)N1CCOCC1)CC(C)(C)CC1CC1)C(=O)c1nc(C2CC2)no1
InChIInChI=1S/C25H38N4O5/c1-4-19(21(31)24-27-22(28-34-24)17-7-8-17)26-23(32)18(15-25(2,3)14-16-5-6-16)13-20(30)29-9-11-33-12-10-29/h16-19H,4-15H2,1-3H3,(H,26,32)/t18-,19-/m1/s1
InChIKeyUTMQCQPZTIQZMO-RTBURBONSA-N
MW474.60 g/mol
LogP3.11
Rot. Bonds12

About (2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide

(2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide (PubChem CID 10390153) has the molecular formula C25H38N4O5 and a molecular weight of 474.60 g/mol. Its IUPAC name is (2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide.

Molecular Properties

Compound Name(2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide
PubChem CID10390153
Molecular FormulaC25H38N4O5
Molecular Weight474.60 g/mol
Exact Mass474.28
IUPAC Name(2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide
SMILESCC[C@@H](NC(=O)[C@H](CC(=O)N1CCOCC1)CC(C)(C)CC1CC1)C(=O)c1nc(C2CC2)no1
InChIInChI=1S/C25H38N4O5/c1-4-19(21(31)24-27-22(28-34-24)17-7-8-17)26-23(32)18(15-25(2,3)14-16-5-6-16)13-20(30)29-9-11-33-12-10-29/h16-19H,4-15H2,1-3H3,(H,26,32)/t18-,19-/m1/s1
InChIKeyUTMQCQPZTIQZMO-RTBURBONSA-N
XLogP3.11
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide?
The IUPAC name of (2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide (CID 10390153) is (2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide.
What is the SMILES notation for (2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide?
The canonical SMILES for (2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide is CC[C@@H](NC(=O)[C@H](CC(=O)N1CCOCC1)CC(C)(C)CC1CC1)C(=O)c1nc(C2CC2)no1.
What is the InChIKey of (2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide?
The InChIKey is UTMQCQPZTIQZMO-RTBURBONSA-N. The full InChI is InChI=1S/C25H38N4O5/c1-4-19(21(31)24-27-22(28-34-24)17-7-8-17)26-23(32)18(15-25(2,3)14-16-5-6-16)13-20(30)29-9-11-33-12-10-29/h16-19H,4-15H2,1-3H3,(H,26,32)/t18-,19-/m1/s1.
What are the key properties of (2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide?
(2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide has a molecular weight of 474.60 g/mol, XLogP of 3.11, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-cyclopropyl-N-[(2R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]-4,4-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)pentanamide is sourced from PubChem (CID 10390153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).