(2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol

C22H27N5O2 — CID 172714086

IUPAC(2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol
SMILESNc1cc(N[C@H](CO)c2ccccc2)c(C2=NC3(CO2)CC2CCC(C3)N2)cn1
InChIInChI=1S/C22H27N5O2/c23-20-8-18(26-19(12-28)14-4-2-1-3-5-14)17(11-24-20)21-27-22(13-29-21)9-15-6-7-16(10-22)25-15/h1-5,8,11,15-16,19,25,28H,6-7,9-10,12-13H2,(H3,23,24,26)/t15?,16?,19-,22?/m1/s1
InChIKeyFQACMEAGJBRAOX-RFQURXDMSA-N
MW393.49 g/mol
LogP2.24
Rot. Bonds5

About (2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol

(2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol (PubChem CID 172714086) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol
PubChem CID172714086
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name(2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol
SMILESNc1cc(N[C@H](CO)c2ccccc2)c(C2=NC3(CO2)CC2CCC(C3)N2)cn1
InChIInChI=1S/C22H27N5O2/c23-20-8-18(26-19(12-28)14-4-2-1-3-5-14)17(11-24-20)21-27-22(13-29-21)9-15-6-7-16(10-22)25-15/h1-5,8,11,15-16,19,25,28H,6-7,9-10,12-13H2,(H3,23,24,26)/t15?,16?,19-,22?/m1/s1
InChIKeyFQACMEAGJBRAOX-RFQURXDMSA-N
XLogP2.24
TPSA104.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol 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

2-[[5-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-pyridinyl]amino]-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 172692654
2-[[5-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-pyridinyl]amino]-7,7-dimethyl-6H-pyrrolo[3,4-b]pyridin-5-one
CID 172851020
6-[[5-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-pyridinyl]amino]-1-propan-2-yl-2-propylpyrazolo[3,4-b]pyridin-3-one
CID 172848680
(2S)-2-[[5-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-yl)-2-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol
CID 175817654
(2S)-2-[[2-[(1-hydroxy-3-methyl-3H-2,1-benzoxaborol-5-yl)amino]-5-(1,2,4-oxadiazol-5-yl)-4-pyridinyl]amino]-2-phenylethanol
CID 175817665
(2S)-2-[[2-[(1-hydroxy-3,3-dimethyloxaborolo[4,3-b]pyridin-5-yl)amino]-5-(1,2,4-oxadiazol-5-yl)-4-pyridinyl]amino]-2-phenylethanol
CID 175817113
2-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-7,7-dimethyl-6H-pyrrolo[3,4-b]pyridin-5-one
CID 172748838
(2S)-2-[[2-[(1-hydroxy-3,3-dimethyloxaborolo[4,3-b]pyridin-5-yl)amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]amino]-2-phenylethanol
CID 175817441
7,7-difluoro-2-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-6H-pyrrolo[3,4-b]pyridin-5-one
CID 172865982
(2S)-2-[(2-methyl-1H-pyrrol-3-yl)amino]-2-phenylethanol
CID 174809209
(2S)-2-[(5-bromopyrimidin-2-yl)amino]-2-phenylethanol
CID 95179696
(2S)-2-[[2-[(1-hydroxy-3,3-dimethyloxaborolo[4,3-d]pyrimidin-5-yl)amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridinyl]amino]-2-phenylethanol
CID 175817225

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol (CID 172714086) is (2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol is Nc1cc(N[C@H](CO)c2ccccc2)c(C2=NC3(CO2)CC2CCC(C3)N2)cn1.
What is the InChIKey of (2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol?
The InChIKey is FQACMEAGJBRAOX-RFQURXDMSA-N. The full InChI is InChI=1S/C22H27N5O2/c23-20-8-18(26-19(12-28)14-4-2-1-3-5-14)17(11-24-20)21-27-22(13-29-21)9-15-6-7-16(10-22)25-15/h1-5,8,11,15-16,19,25,28H,6-7,9-10,12-13H2,(H3,23,24,26)/t15?,16?,19-,22?/m1/s1.
What are the key properties of (2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol?
(2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol has a molecular weight of 393.49 g/mol, XLogP of 2.24, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-5-spiro[5H-1,3-oxazole-4,3'-8-azabicyclo[3.2.1]octane]-2-yl-4-pyridinyl)amino]-2-phenylethanol is sourced from PubChem (CID 172714086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).