1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone

C17H18N8O2 — CID 135248246

IUPAC1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1ccno1)N1C2CC[C@H]1CN(c1ccnc(Nc3cn[nH]c3)n1)C2
InChIInChI=1S/C17H18N8O2/c26-16(14-3-6-21-27-14)25-12-1-2-13(25)10-24(9-12)15-4-5-18-17(23-15)22-11-7-19-20-8-11/h3-8,12-13H,1-2,9-10H2,(H,19,20)(H,18,22,23)/t12-,13?/m0/s1
InChIKeyFVIKTAZVQBLBAI-UEWDXFNNSA-N
MW366.39 g/mol
LogP1.42
Rot. Bonds4

About 1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone

1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 135248246) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID135248246
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1ccno1)N1C2CC[C@H]1CN(c1ccnc(Nc3cn[nH]c3)n1)C2
InChIInChI=1S/C17H18N8O2/c26-16(14-3-6-21-27-14)25-12-1-2-13(25)10-24(9-12)15-4-5-18-17(23-15)22-11-7-19-20-8-11/h3-8,12-13H,1-2,9-10H2,(H,19,20)(H,18,22,23)/t12-,13?/m0/s1
InChIKeyFVIKTAZVQBLBAI-UEWDXFNNSA-N
XLogP1.42
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone 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 1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of 1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone (CID 135248246) is 1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for 1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone is O=C(c1ccno1)N1C2CC[C@H]1CN(c1ccnc(Nc3cn[nH]c3)n1)C2.
What is the InChIKey of 1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is FVIKTAZVQBLBAI-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H18N8O2/c26-16(14-3-6-21-27-14)25-12-1-2-13(25)10-24(9-12)15-4-5-18-17(23-15)22-11-7-19-20-8-11/h3-8,12-13H,1-2,9-10H2,(H,19,20)(H,18,22,23)/t12-,13?/m0/s1.
What are the key properties of 1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone?
1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 366.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-[(5S)-3-[2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 135248246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).