5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide

C24H29FN4O3 — CID 143146460

IUPAC5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide
SMILESC=C[C@H](N)Cc1oc(-c2ccc(OC)c3nc(C(F)(CC)CCC)ccc23)nc1C(N)=O
InChIInChI=1S/C24H29FN4O3/c1-5-12-24(25,7-3)19-11-9-15-16(8-10-17(31-4)20(15)28-19)23-29-21(22(27)30)18(32-23)13-14(26)6-2/h6,8-11,14H,2,5,7,12-13,26H2,1,3-4H3,(H2,27,30)/t14-,24?/m0/s1
InChIKeyGPSLGRMTZLNLMW-LNYMIDHXSA-N
MW440.52 g/mol
LogP4.43
Rot. Bonds10

About 5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide

5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide (PubChem CID 143146460) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide
PubChem CID143146460
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide
SMILESC=C[C@H](N)Cc1oc(-c2ccc(OC)c3nc(C(F)(CC)CCC)ccc23)nc1C(N)=O
InChIInChI=1S/C24H29FN4O3/c1-5-12-24(25,7-3)19-11-9-15-16(8-10-17(31-4)20(15)28-19)23-29-21(22(27)30)18(32-23)13-14(26)6-2/h6,8-11,14H,2,5,7,12-13,26H2,1,3-4H3,(H2,27,30)/t14-,24?/m0/s1
InChIKeyGPSLGRMTZLNLMW-LNYMIDHXSA-N
XLogP4.43
TPSA117.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(1S)-1-aminoprop-2-enyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 143146876
5-[(2S)-2-aminobutyl]-N-(cyclopropylmethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 143146404
5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 143146663
[4-ethenyl-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-5-yl]methanamine
CID 70328908
[5-[(1S)-1-aminoprop-2-enyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 162551357
N-[2-amino-1-(2,4-dichlorophenyl)-2-oxoethyl]-5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 162551256
ethyl 2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-[2-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-1,3-oxazole-4-carboxylate
CID 87346094
5-(aminomethyl)-N-[(2-aminopyrimidin-5-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 154546463
5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 143146903
5-(aminomethyl)-N-[(2R)-2-[1-[[(Z)-but-2-enylidene]amino]ethenylamino]propyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 70329911
5-(aminomethyl)-N-[(2S)-1-[1-[[(Z)-but-2-enylidene]amino]ethenylamino]propan-2-yl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
CID 70329914
[4-[5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 143146952

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide (CID 143146460) is 5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide is C=C[C@H](N)Cc1oc(-c2ccc(OC)c3nc(C(F)(CC)CCC)ccc23)nc1C(N)=O.
What is the InChIKey of 5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is GPSLGRMTZLNLMW-LNYMIDHXSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-5-12-24(25,7-3)19-11-9-15-16(8-10-17(31-4)20(15)28-19)23-29-21(22(27)30)18(32-23)13-14(26)6-2/h6,8-11,14H,2,5,7,12-13,26H2,1,3-4H3,(H2,27,30)/t14-,24?/m0/s1.
What are the key properties of 5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide?
5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-aminobut-3-enyl]-2-[2-(3-fluorohexan-3-yl)-8-methoxyquinolin-5-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 143146460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).