N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide

C21H17N3O2 — CID 167894893

IUPACN-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3cccc4ncccc34)cc2)oc1C
InChIInChI=1S/C21H17N3O2/c1-13-14(2)26-21(23-13)15-8-10-16(11-9-15)24-20(25)18-5-3-7-19-17(18)6-4-12-22-19/h3-12H,1-2H3,(H,24,25)
InChIKeyVOAHAEHEJFGATO-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.76
Rot. Bonds3

About N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide

N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide (PubChem CID 167894893) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide
PubChem CID167894893
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3cccc4ncccc34)cc2)oc1C
InChIInChI=1S/C21H17N3O2/c1-13-14(2)26-21(23-13)15-8-10-16(11-9-15)24-20(25)18-5-3-7-19-17(18)6-4-12-22-19/h3-12H,1-2H3,(H,24,25)
InChIKeyVOAHAEHEJFGATO-UHFFFAOYSA-N
XLogP4.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide
CID 17433698
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]pyridine-4-carboxamide
CID 5022157
N'-(2,5-dimethylfuran-3-carbonyl)quinoline-5-carbohydrazide
CID 26021205
2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
CID 146600948
3-amino-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 136577955
N-(6-amino-3-pyridinyl)quinoline-5-carboxamide
CID 62901696
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100050
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51093188
N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide
CID 62851104

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide?
The IUPAC name of N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide (CID 167894893) is N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide is Cc1nc(-c2ccc(NC(=O)c3cccc4ncccc34)cc2)oc1C.
What is the InChIKey of N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide?
The InChIKey is VOAHAEHEJFGATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-14(2)26-21(23-13)15-8-10-16(11-9-15)24-20(25)18-5-3-7-19-17(18)6-4-12-22-19/h3-12H,1-2H3,(H,24,25).
What are the key properties of N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide?
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide is sourced from PubChem (CID 167894893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).