(2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide

C21H35N3O5 — CID 10216297

IUPAC(2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide
SMILESCC(C)c1noc([C@@H](NC(=O)[C@H](CC2CCCC2)[C@H](O)C(=O)CO)C(C)(C)C)n1
InChIInChI=1S/C21H35N3O5/c1-12(2)18-23-20(29-24-18)17(21(3,4)5)22-19(28)14(16(27)15(26)11-25)10-13-8-6-7-9-13/h12-14,16-17,25,27H,6-11H2,1-5H3,(H,22,28)/t14-,16+,17-/m1/s1
InChIKeyWXOHIHPCJMUNPA-HYVNUMGLSA-N
MW409.53 g/mol
LogP2.52
Rot. Bonds9

About (2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide

(2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide (PubChem CID 10216297) has the molecular formula C21H35N3O5 and a molecular weight of 409.53 g/mol. Its IUPAC name is (2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide.

Molecular Properties

Compound Name(2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide
PubChem CID10216297
Molecular FormulaC21H35N3O5
Molecular Weight409.53 g/mol
Exact Mass409.26
IUPAC Name(2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide
SMILESCC(C)c1noc([C@@H](NC(=O)[C@H](CC2CCCC2)[C@H](O)C(=O)CO)C(C)(C)C)n1
InChIInChI=1S/C21H35N3O5/c1-12(2)18-23-20(29-24-18)17(21(3,4)5)22-19(28)14(16(27)15(26)11-25)10-13-8-6-7-9-13/h12-14,16-17,25,27H,6-11H2,1-5H3,(H,22,28)/t14-,16+,17-/m1/s1
InChIKeyWXOHIHPCJMUNPA-HYVNUMGLSA-N
XLogP2.52
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide?
The IUPAC name of (2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide (CID 10216297) is (2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide.
What is the SMILES notation for (2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide?
The canonical SMILES for (2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide is CC(C)c1noc([C@@H](NC(=O)[C@H](CC2CCCC2)[C@H](O)C(=O)CO)C(C)(C)C)n1.
What is the InChIKey of (2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide?
The InChIKey is WXOHIHPCJMUNPA-HYVNUMGLSA-N. The full InChI is InChI=1S/C21H35N3O5/c1-12(2)18-23-20(29-24-18)17(21(3,4)5)22-19(28)14(16(27)15(26)11-25)10-13-8-6-7-9-13/h12-14,16-17,25,27H,6-11H2,1-5H3,(H,22,28)/t14-,16+,17-/m1/s1.
What are the key properties of (2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide?
(2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide has a molecular weight of 409.53 g/mol, XLogP of 2.52, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(cyclopentylmethyl)-N-[(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,5-dihydroxy-4-oxopentanamide is sourced from PubChem (CID 10216297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).