(3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol

C19H17N5O2 — CID 70798709

IUPAC(3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol
SMILESNc1nc2cc(-c3ccc4ncc(N5CC[C@H](O)C5)nc4c3)ccc2o1
InChIInChI=1S/C19H17N5O2/c20-19-23-16-8-12(2-4-17(16)26-19)11-1-3-14-15(7-11)22-18(9-21-14)24-6-5-13(25)10-24/h1-4,7-9,13,25H,5-6,10H2,(H2,20,23)/t13-/m0/s1
InChIKeyHDDHUMGKYBDYML-ZDUSSCGKSA-N
MW347.38 g/mol
LogP2.59
Rot. Bonds2

About (3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol

(3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol (PubChem CID 70798709) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is (3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol
PubChem CID70798709
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name(3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol
SMILESNc1nc2cc(-c3ccc4ncc(N5CC[C@H](O)C5)nc4c3)ccc2o1
InChIInChI=1S/C19H17N5O2/c20-19-23-16-8-12(2-4-17(16)26-19)11-1-3-14-15(7-11)22-18(9-21-14)24-6-5-13(25)10-24/h1-4,7-9,13,25H,5-6,10H2,(H2,20,23)/t13-/m0/s1
InChIKeyHDDHUMGKYBDYML-ZDUSSCGKSA-N
XLogP2.59
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

5-[3-(3-methylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 144716966
[1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 144716980
5-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 70798763
5-[3-(3-pyrrolidin-1-ylazetidin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 70798676
5-[3-[3-(4,4-dihydroxypiperazin-4-ium-1-yl)azetidin-1-yl]quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 123394826
1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-N-cyclopropylazetidine-3-carboxamide
CID 70798840
[4-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 70798675
5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine
CID 54675302
2-(dimethylamino)acetaldehyde;5-[3-(4-methylpiperazin-1-yl)quinoxalin-6-yl]-1,3-benzoxazol-2-amine
CID 144716901
5-[7-[3-(4-cyclopropylpiperazin-1-yl)azetidin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
CID 54675301
[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 70798533
5-[7-[(3R)-3-methylpiperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
CID 70650038

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol (CID 70798709) is (3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol is Nc1nc2cc(-c3ccc4ncc(N5CC[C@H](O)C5)nc4c3)ccc2o1.
What is the InChIKey of (3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol?
The InChIKey is HDDHUMGKYBDYML-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N5O2/c20-19-23-16-8-12(2-4-17(16)26-19)11-1-3-14-15(7-11)22-18(9-21-14)24-6-5-13(25)10-24/h1-4,7-9,13,25H,5-6,10H2,(H2,20,23)/t13-/m0/s1.
What are the key properties of (3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol?
(3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol has a molecular weight of 347.38 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[7-(2-amino-1,3-benzoxazol-5-yl)quinoxalin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 70798709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).