3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide

C22H27N5O2 — CID 24971428

IUPAC3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide
SMILESC[C@H](Nc1cc2c(C3CCCN(CCC(N)=O)C3)noc2cn1)c1ccccc1
InChIInChI=1S/C22H27N5O2/c1-15(16-6-3-2-4-7-16)25-21-12-18-19(13-24-21)29-26-22(18)17-8-5-10-27(14-17)11-9-20(23)28/h2-4,6-7,12-13,15,17H,5,8-11,14H2,1H3,(H2,23,28)(H,24,25)/t15-,17?/m0/s1
InChIKeyZOIMQOAMAULHEL-MYJWUSKBSA-N
MW393.49 g/mol
LogP3.45
Rot. Bonds7

About 3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide

3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide (PubChem CID 24971428) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide
PubChem CID24971428
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide
SMILESC[C@H](Nc1cc2c(C3CCCN(CCC(N)=O)C3)noc2cn1)c1ccccc1
InChIInChI=1S/C22H27N5O2/c1-15(16-6-3-2-4-7-16)25-21-12-18-19(13-24-21)29-26-22(18)17-8-5-10-27(14-17)11-9-20(23)28/h2-4,6-7,12-13,15,17H,5,8-11,14H2,1H3,(H2,23,28)(H,24,25)/t15-,17?/m0/s1
InChIKeyZOIMQOAMAULHEL-MYJWUSKBSA-N
XLogP3.45
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide with MolForge

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Related Compounds

3-(3-chloro-5-(5-(((1S)-1-phenylethyl)amino)isoxazolo(5,4-c)pyridin-3-yl)phenyl)propan-1-ol
CID 24941248
N-(4-methyl-3-(3-(piperidin-4-yl)benzo[d]isoxazol-6-yl)phenyl)-2-(pyrrolidin-1-yl)isonicotinamide
CID 44580077
1-(4-benzoylpiperazin-1-yl)-2-[4-(3-methylisoxazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 59729296
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971417
3-(3,5-dimethylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971419
3-(3-chlorophenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971420
3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}pyrido[4,3-d][1,2]oxazol-3-yl)phenyl]propanamide
CID 24971423
3-(4-methylthiophen-3-yl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971426
N1-[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]acetamide
CID 2745719
2-Pyrimidinamine, N-cyclohexyl-4-[3-phenyl-5-(1-piperidinylmethyl)-4-isoxazolyl]-
CID 10093433
N-pyridin-2-yl-1,2-benzoxazole-3-carboxamide
CID 155813831
3-phenyl-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971416

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide?
The IUPAC name of 3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide (CID 24971428) is 3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide.
What is the SMILES notation for 3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide?
The canonical SMILES for 3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide is C[C@H](Nc1cc2c(C3CCCN(CCC(N)=O)C3)noc2cn1)c1ccccc1.
What is the InChIKey of 3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide?
The InChIKey is ZOIMQOAMAULHEL-MYJWUSKBSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15(16-6-3-2-4-7-16)25-21-12-18-19(13-24-21)29-26-22(18)17-8-5-10-27(14-17)11-9-20(23)28/h2-4,6-7,12-13,15,17H,5,8-11,14H2,1H3,(H2,23,28)(H,24,25)/t15-,17?/m0/s1.
What are the key properties of 3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide?
3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide has a molecular weight of 393.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-[[(1S)-1-phenylethyl]amino]-[1,2]oxazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 24971428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).