2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide

C16H15N3O2 — CID 175960311

IUPAC2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc([C@@H](C)c2cc(C(N)=O)c3ccccc3n2)on1
InChIInChI=1S/C16H15N3O2/c1-9-7-15(21-19-9)10(2)14-8-12(16(17)20)11-5-3-4-6-13(11)18-14/h3-8,10H,1-2H3,(H2,17,20)/t10-/m0/s1
InChIKeyUVJWIZMNFRHRSB-JTQLQIEISA-N
MW281.31 g/mol
LogP2.78
Rot. Bonds3

About 2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide

2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide (PubChem CID 175960311) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide
PubChem CID175960311
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide
SMILESCc1cc([C@@H](C)c2cc(C(N)=O)c3ccccc3n2)on1
InChIInChI=1S/C16H15N3O2/c1-9-7-15(21-19-9)10(2)14-8-12(16(17)20)11-5-3-4-6-13(11)18-14/h3-8,10H,1-2H3,(H2,17,20)/t10-/m0/s1
InChIKeyUVJWIZMNFRHRSB-JTQLQIEISA-N
XLogP2.78
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide 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

(1-amino-1-oxopropan-2-yl) 2-propan-2-ylquinoline-4-carboxylate
CID 42886576
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
3-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 131988907
N-[3-(carbamoylamino)phenyl]-2-propan-2-ylquinoline-4-carboxamide
CID 36823243
2-(2-aminopropylamino)quinoline-4-carboxamide
CID 63884670
2-formylquinoline-4-carboxamide
CID 15560688
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide
CID 61121065
3-methyl-N-[1-(2-propan-2-ylquinoline-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 51133124
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate
CID 18199717
2-propan-2-yl-N-quinolin-3-ylquinoline-4-carboxamide
CID 18225579
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 105077594

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide (CID 175960311) is 2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide is Cc1cc([C@@H](C)c2cc(C(N)=O)c3ccccc3n2)on1.
What is the InChIKey of 2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is UVJWIZMNFRHRSB-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15N3O2/c1-9-7-15(21-19-9)10(2)14-8-12(16(17)20)11-5-3-4-6-13(11)18-14/h3-8,10H,1-2H3,(H2,17,20)/t10-/m0/s1.
What are the key properties of 2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide?
2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(3-methyl-1,2-oxazol-5-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 175960311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).