N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

C20H19N3O2 — CID 154754689

IUPACN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCc1ncc(-c2ccc(NC(=O)C3CCCc4cccnc43)cc2)o1
InChIInChI=1S/C20H19N3O2/c1-13-22-12-18(25-13)14-7-9-16(10-8-14)23-20(24)17-6-2-4-15-5-3-11-21-19(15)17/h3,5,7-12,17H,2,4,6H2,1H3,(H,23,24)
InChIKeyFYIZPLCGGIGUPV-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.10
Rot. Bonds3

About N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 154754689) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID154754689
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCc1ncc(-c2ccc(NC(=O)C3CCCc4cccnc43)cc2)o1
InChIInChI=1S/C20H19N3O2/c1-13-22-12-18(25-13)14-7-9-16(10-8-14)23-20(24)17-6-2-4-15-5-3-11-21-19(15)17/h3,5,7-12,17H,2,4,6H2,1H3,(H,23,24)
InChIKeyFYIZPLCGGIGUPV-UHFFFAOYSA-N
XLogP4.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

(8S)-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 100665801
2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974723
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 119704502
N-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 126768498
9-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985154
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119279214
(5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782072
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 18319843
(8S)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 100659560
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119279210
2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide
CID 112830792

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 154754689) is N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is Cc1ncc(-c2ccc(NC(=O)C3CCCc4cccnc43)cc2)o1.
What is the InChIKey of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is FYIZPLCGGIGUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-22-12-18(25-13)14-7-9-16(10-8-14)23-20(24)17-6-2-4-15-5-3-11-21-19(15)17/h3,5,7-12,17H,2,4,6H2,1H3,(H,23,24).
What are the key properties of N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 154754689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).