2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide

C20H27N3O2 — CID 124874416

IUPAC2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide
SMILESCCC(CC)N(C(=O)c1oc(C)nc1C)[C@@H]1CCCc2cccnc21
InChIInChI=1S/C20H27N3O2/c1-5-16(6-2)23(20(24)19-13(3)22-14(4)25-19)17-11-7-9-15-10-8-12-21-18(15)17/h8,10,12,16-17H,5-7,9,11H2,1-4H3/t17-/m1/s1
InChIKeySZUGUZLAKITVKS-QGZVFWFLSA-N
MW341.46 g/mol
LogP4.39
Rot. Bonds5

About 2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide (PubChem CID 124874416) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide
PubChem CID124874416
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide
SMILESCCC(CC)N(C(=O)c1oc(C)nc1C)[C@@H]1CCCc2cccnc21
InChIInChI=1S/C20H27N3O2/c1-5-16(6-2)23(20(24)19-13(3)22-14(4)25-19)17-11-7-9-15-10-8-12-21-18(15)17/h8,10,12,16-17H,5-7,9,11H2,1-4H3/t17-/m1/s1
InChIKeySZUGUZLAKITVKS-QGZVFWFLSA-N
XLogP4.39
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide
CID 102563746
5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide
CID 126817414
N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide
CID 99790377
N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide
CID 124863244
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376
N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
CID 165447452
3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid
CID 81009137
4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide
CID 138035150
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176406
tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate
CID 86621567
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide (CID 124874416) is 2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide is CCC(CC)N(C(=O)c1oc(C)nc1C)[C@@H]1CCCc2cccnc21.
What is the InChIKey of 2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is SZUGUZLAKITVKS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-5-16(6-2)23(20(24)19-13(3)22-14(4)25-19)17-11-7-9-15-10-8-12-21-18(15)17/h8,10,12,16-17H,5-7,9,11H2,1-4H3/t17-/m1/s1.
What are the key properties of 2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 124874416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).