N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide

C21H17N3O3 — CID 90574215

IUPACN-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(OCc3ccccc3)no2)c2ccccc2n1
InChIInChI=1S/C21H17N3O3/c1-14-11-18(16-9-5-6-10-17(16)22-14)23-21(25)19-12-20(24-27-19)26-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,22,23,25)
InChIKeyCMWRRSHAFKSGSM-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.36
Rot. Bonds5

About N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide

N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide (PubChem CID 90574215) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
PubChem CID90574215
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(OCc3ccccc3)no2)c2ccccc2n1
InChIInChI=1S/C21H17N3O3/c1-14-11-18(16-9-5-6-10-17(16)22-14)23-21(25)19-12-20(24-27-19)26-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,22,23,25)
InChIKeyCMWRRSHAFKSGSM-UHFFFAOYSA-N
XLogP4.36
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574190
N-(2,5-dichlorophenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574182
3-phenylmethoxy-N-pyridin-3-yl-1,2-oxazole-5-carboxamide
CID 90574213
N-(2-phenylethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574114
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
N-(3-methoxypropyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574079
3-phenylmethoxy-N-prop-2-enyl-1,2-oxazole-5-carboxamide
CID 90574076
N-(2-phenoxyethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 71802527
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574228
3-phenylmethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90574012
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide (CID 90574215) is N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide is Cc1cc(NC(=O)c2cc(OCc3ccccc3)no2)c2ccccc2n1.
What is the InChIKey of N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The InChIKey is CMWRRSHAFKSGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-14-11-18(16-9-5-6-10-17(16)22-14)23-21(25)19-12-20(24-27-19)26-13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,22,23,25).
What are the key properties of N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90574215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).