(1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol

C19H21FN6O2 — CID 58394489

IUPAC(1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol
SMILESC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCN(Cc2cnco2)C[C@H]1F
InChIInChI=1S/C19H21FN6O2/c1-11(27)19-24-15-7-23-18-13(2-4-22-18)17(15)26(19)16-3-5-25(9-14(16)20)8-12-6-21-10-28-12/h2,4,6-7,10-11,14,16,27H,3,5,8-9H2,1H3,(H,22,23)/t11-,14-,16+/m1/s1
InChIKeyJKQOLTZPMBERDE-XFJVYGCCSA-N
MW384.42 g/mol
LogP2.74
Rot. Bonds4

About (1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol

(1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol (PubChem CID 58394489) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is (1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol
PubChem CID58394489
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name(1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol
SMILESC[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCN(Cc2cnco2)C[C@H]1F
InChIInChI=1S/C19H21FN6O2/c1-11(27)19-24-15-7-23-18-13(2-4-22-18)17(15)26(19)16-3-5-25(9-14(16)20)8-12-6-21-10-28-12/h2,4,6-7,10-11,14,16,27H,3,5,8-9H2,1H3,(H,22,23)/t11-,14-,16+/m1/s1
InChIKeyJKQOLTZPMBERDE-XFJVYGCCSA-N
XLogP2.74
TPSA96.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-1-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethanol
CID 58394866
CID 67345882
CID 67345882
(R)-1-(1-((S)-Tetrahydro-2H-pyran-3-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)ethanol
CID 58394783
(1R)-1-[3-[(3R)-oxan-3-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol
CID 58394796
3-[(3R)-3-[4-[(1R)-1-hydroxyethyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]-3-oxopropanenitrile
CID 58395380
CID 71230234
CID 71230234
4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118335021
Gyrase inhibitor Redx04739
CID 121304735
(1S)-1-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)ethanol
CID 71681534
(1R)-1-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol
CID 71681693
3-[4-[4-[(1R)-1-hydroxyethyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile
CID 71681694
(1R)-1-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol
CID 71681695

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol?
The IUPAC name of (1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol (CID 58394489) is (1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol?
The canonical SMILES for (1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol is C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCN(Cc2cnco2)C[C@H]1F.
What is the InChIKey of (1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol?
The InChIKey is JKQOLTZPMBERDE-XFJVYGCCSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-11(27)19-24-15-7-23-18-13(2-4-22-18)17(15)26(19)16-3-5-25(9-14(16)20)8-12-6-21-10-28-12/h2,4,6-7,10-11,14,16,27H,3,5,8-9H2,1H3,(H,22,23)/t11-,14-,16+/m1/s1.
What are the key properties of (1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol?
(1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol has a molecular weight of 384.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(3R,4S)-3-fluoro-1-(1,3-oxazol-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethanol is sourced from PubChem (CID 58394489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).