(2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol

C16H25N3O2 — CID 104915854

IUPAC(2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC12CC3CC(C)(C1)CC(c1noc([C@@H](N)CO)n1)(C3)C2
InChIInChI=1S/C16H25N3O2/c1-14-3-10-4-15(2,7-14)9-16(5-10,8-14)13-18-12(21-19-13)11(17)6-20/h10-11,20H,3-9,17H2,1-2H3/t10?,11-,14?,15?,16?/m0/s1
InChIKeyPQVAPSYWVWCBIZ-MHOADMEVSA-N
MW291.39 g/mol
LogP2.31
Rot. Bonds3

About (2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol

(2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 104915854) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID104915854
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC12CC3CC(C)(C1)CC(c1noc([C@@H](N)CO)n1)(C3)C2
InChIInChI=1S/C16H25N3O2/c1-14-3-10-4-15(2,7-14)9-16(5-10,8-14)13-18-12(21-19-13)11(17)6-20/h10-11,20H,3-9,17H2,1-2H3/t10?,11-,14?,15?,16?/m0/s1
InChIKeyPQVAPSYWVWCBIZ-MHOADMEVSA-N
XLogP2.31
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 104915854) is (2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol is CC12CC3CC(C)(C1)CC(c1noc([C@@H](N)CO)n1)(C3)C2.
What is the InChIKey of (2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is PQVAPSYWVWCBIZ-MHOADMEVSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-14-3-10-4-15(2,7-14)9-16(5-10,8-14)13-18-12(21-19-13)11(17)6-20/h10-11,20H,3-9,17H2,1-2H3/t10?,11-,14?,15?,16?/m0/s1.
What are the key properties of (2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol?
(2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 291.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 104915854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).