5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one

C20H22N4O3 — CID 58146984

IUPAC5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cnc3c(c2NC2[C@@H]4CC5C[C@H]2CC(O)(C5)C4)C=CC3)o1
InChIInChI=1S/C20H22N4O3/c25-19-24-23-18(27-19)14-9-21-15-3-1-2-13(15)17(14)22-16-11-4-10-5-12(16)8-20(26,6-10)7-11/h1-2,9-12,16,26H,3-8H2,(H,21,22)(H,24,25)/t10?,11-,12+,16?,20?
InChIKeyHDQYIMWJXSQTEJ-ZBTVKWRWSA-N
MW366.42 g/mol
LogP2.35
Rot. Bonds3

About 5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one

5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 58146984) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID58146984
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cnc3c(c2NC2[C@@H]4CC5C[C@H]2CC(O)(C5)C4)C=CC3)o1
InChIInChI=1S/C20H22N4O3/c25-19-24-23-18(27-19)14-9-21-15-3-1-2-13(15)17(14)22-16-11-4-10-5-12(16)8-20(26,6-10)7-11/h1-2,9-12,16,26H,3-8H2,(H,21,22)(H,24,25)/t10?,11-,12+,16?,20?
InChIKeyHDQYIMWJXSQTEJ-ZBTVKWRWSA-N
XLogP2.35
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one (CID 58146984) is 5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2cnc3c(c2NC2[C@@H]4CC5C[C@H]2CC(O)(C5)C4)C=CC3)o1.
What is the InChIKey of 5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is HDQYIMWJXSQTEJ-ZBTVKWRWSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-19-24-23-18(27-19)14-9-21-15-3-1-2-13(15)17(14)22-16-11-4-10-5-12(16)8-20(26,6-10)7-11/h1-2,9-12,16,26H,3-8H2,(H,21,22)(H,24,25)/t10?,11-,12+,16?,20?.
What are the key properties of 5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one?
5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 366.42 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridin-3-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 58146984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).