(2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine

C23H24N4O2 — CID 137495407

IUPAC(2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccc(-c2cnnc3ccccc23)cc1-c1ccno1
InChIInChI=1S/C23H24N4O2/c1-15(2)11-17(24)14-28-22-8-7-16(12-19(22)23-9-10-26-29-23)20-13-25-27-21-6-4-3-5-18(20)21/h3-10,12-13,15,17H,11,14,24H2,1-2H3/t17-/m0/s1
InChIKeyIXIZUROBLBUAPV-KRWDZBQOSA-N
MW388.47 g/mol
LogP4.70
Rot. Bonds7

About (2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine

(2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine (PubChem CID 137495407) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine
PubChem CID137495407
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccc(-c2cnnc3ccccc23)cc1-c1ccno1
InChIInChI=1S/C23H24N4O2/c1-15(2)11-17(24)14-28-22-8-7-16(12-19(22)23-9-10-26-29-23)20-13-25-27-21-6-4-3-5-18(20)21/h3-10,12-13,15,17H,11,14,24H2,1-2H3/t17-/m0/s1
InChIKeyIXIZUROBLBUAPV-KRWDZBQOSA-N
XLogP4.70
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine with MolForge

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Related Compounds

[4-methyl-1-[2-(1,2-oxazol-5-yl)-4-quinolin-4-ylphenoxy]pentan-2-yl] carbamate
CID 151831996
4,4-dimethyl-1-[4-quinolin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 142797261
tert-butyl N-[(2S)-4-methyl-1-[4-(2-methyl-4-pyridinyl)-2-(1,2-oxazol-5-yl)phenoxy]pentan-2-yl]carbamate
CID 118429657
4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine
CID 145286257
tert-butyl N-[1-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-yl]carbamate
CID 123459257
4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241681
4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline
CID 151386101
2-[(2S)-2-amino-4-methylpentoxy]-5-(2-methyl-4-pyridinyl)benzonitrile
CID 118420229
4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine
CID 145286303
4-[3-chloro-4-(2,4-dimethylpentoxy)-5-fluorophenyl]quinoline
CID 158009232
4-[6-chloro-5-[(2R)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline
CID 118429692
N-[4-[2-(2-amino-4-methylpentoxy)-3-methylphenyl]-2-pyridinyl]acetamide
CID 118420569

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine?
The IUPAC name of (2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine (CID 137495407) is (2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine?
The canonical SMILES for (2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine is CC(C)C[C@H](N)COc1ccc(-c2cnnc3ccccc23)cc1-c1ccno1.
What is the InChIKey of (2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine?
The InChIKey is IXIZUROBLBUAPV-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15(2)11-17(24)14-28-22-8-7-16(12-19(22)23-9-10-26-29-23)20-13-25-27-21-6-4-3-5-18(20)21/h3-10,12-13,15,17H,11,14,24H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine?
(2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine has a molecular weight of 388.47 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-cinnolin-4-yl-2-(1,2-oxazol-5-yl)phenoxy]-4-methylpentan-2-amine is sourced from PubChem (CID 137495407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).