5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide

C21H18N4O3 — CID 42094150

IUPAC5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCc3ccnc4ccccc34)no2)cn1
InChIInChI=1S/C21H18N4O3/c1-14-6-7-16(12-23-14)27-13-17-10-20(25-28-17)21(26)24-11-15-8-9-22-19-5-3-2-4-18(15)19/h2-10,12H,11,13H2,1H3,(H,24,26)
InChIKeyMQIZGUQVZVCBIS-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.44
Rot. Bonds6

About 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 42094150) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID42094150
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCc3ccnc4ccccc34)no2)cn1
InChIInChI=1S/C21H18N4O3/c1-14-6-7-16(12-23-14)27-13-17-10-20(25-28-17)21(26)24-11-15-8-9-22-19-5-3-2-4-18(15)19/h2-10,12H,11,13H2,1H3,(H,24,26)
InChIKeyMQIZGUQVZVCBIS-UHFFFAOYSA-N
XLogP3.44
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 74229782
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 29182088
5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[2-(3-methylthiophen-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56708025
4-methoxy-N-(quinolin-4-ylmethyl)benzamide
CID 110734220
5-[(2,6-dimethylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 25275496
N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
CID 62442813
N-(1,3-benzodioxol-5-ylmethyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 25274856
5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide
CID 53010732
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 56713647
N-(3-hydroxy-3-prop-2-enylhex-5-en-2-yl)-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 45201600
2-(3-methylphenyl)-N-(quinolin-4-ylmethyl)acetamide
CID 110734253
5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 25368405

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 42094150) is 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)NCc3ccnc4ccccc34)no2)cn1.
What is the InChIKey of 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MQIZGUQVZVCBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-14-6-7-16(12-23-14)27-13-17-10-20(25-28-17)21(26)24-11-15-8-9-22-19-5-3-2-4-18(15)19/h2-10,12H,11,13H2,1H3,(H,24,26).
What are the key properties of 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-3-pyridinyl)oxymethyl]-N-(quinolin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42094150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).