N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide

C18H18N4O3 — CID 58081339

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1coc(Oc2ccccc2)n1
InChIInChI=1S/C18H18N4O3/c1-11-8-16(19)21-12(2)14(11)9-20-17(23)15-10-24-18(22-15)25-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyONJQDAWDADMDRL-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.99
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide (PubChem CID 58081339) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide
PubChem CID58081339
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1coc(Oc2ccccc2)n1
InChIInChI=1S/C18H18N4O3/c1-11-8-16(19)21-12(2)14(11)9-20-17(23)15-10-24-18(22-15)25-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyONJQDAWDADMDRL-UHFFFAOYSA-N
XLogP2.99
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(2-methylquinolin-8-yl)methyl]-1,3-oxazole-4-carboxamide
CID 118002620
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-benzyl-1,2-oxazole-5-carboxamide
CID 56836124
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 142714628
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide
CID 56836928
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(benzenesulfonyl)-2,4,5-trimethylpyrrole-3-carboxamide
CID 58081313
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide
CID 66723765
N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide
CID 139341058
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56836487
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(Z)-1-amino-3-phenylprop-1-en-2-yl]oxyprop-2-enamide
CID 67208629
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56836781
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-[(5-methylpyrazol-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide
CID 58081254
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 56836486

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide (CID 58081339) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1coc(Oc2ccccc2)n1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide?
The InChIKey is ONJQDAWDADMDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-8-16(19)21-12(2)14(11)9-20-17(23)15-10-24-18(22-15)25-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H2,19,21)(H,20,23).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-phenoxy-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58081339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).