(2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide

C19H26N4O3 — CID 129472264

IUPAC(2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide
SMILESCC(C)c1noc([C@H](N[C@H](C(N)=O)c2ccccc2)C2CCOCC2)n1
InChIInChI=1S/C19H26N4O3/c1-12(2)18-22-19(26-23-18)16(14-8-10-25-11-9-14)21-15(17(20)24)13-6-4-3-5-7-13/h3-7,12,14-16,21H,8-11H2,1-2H3,(H2,20,24)/t15-,16+/m0/s1
InChIKeyMSULBDVFDAEUDG-JKSUJKDBSA-N
MW358.44 g/mol
LogP2.48
Rot. Bonds7

About (2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide

(2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide (PubChem CID 129472264) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide
PubChem CID129472264
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide
SMILESCC(C)c1noc([C@H](N[C@H](C(N)=O)c2ccccc2)C2CCOCC2)n1
InChIInChI=1S/C19H26N4O3/c1-12(2)18-22-19(26-23-18)16(14-8-10-25-11-9-14)21-15(17(20)24)13-6-4-3-5-7-13/h3-7,12,14-16,21H,8-11H2,1-2H3,(H2,20,24)/t15-,16+/m0/s1
InChIKeyMSULBDVFDAEUDG-JKSUJKDBSA-N
XLogP2.48
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide (CID 129472264) is (2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide is CC(C)c1noc([C@H](N[C@H](C(N)=O)c2ccccc2)C2CCOCC2)n1.
What is the InChIKey of (2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide?
The InChIKey is MSULBDVFDAEUDG-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12(2)18-22-19(26-23-18)16(14-8-10-25-11-9-14)21-15(17(20)24)13-6-4-3-5-7-13/h3-7,12,14-16,21H,8-11H2,1-2H3,(H2,20,24)/t15-,16+/m0/s1.
What are the key properties of (2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide?
(2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide has a molecular weight of 358.44 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 129472264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).