N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C18H18N4O2 — CID 53051794

IUPACN-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1N(C)C
InChIInChI=1S/C18H18N4O2/c1-12-6-7-14(9-16(12)22(2)3)20-18(23)15-10-17(24-21-15)13-5-4-8-19-11-13/h4-11H,1-3H3,(H,20,23)
InChIKeyWWZOLQPLGLSEHG-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.36
Rot. Bonds4

About N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 53051794) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID53051794
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1N(C)C
InChIInChI=1S/C18H18N4O2/c1-12-6-7-14(9-16(12)22(2)3)20-18(23)15-10-17(24-21-15)13-5-4-8-19-11-13/h4-11H,1-3H3,(H,20,23)
InChIKeyWWZOLQPLGLSEHG-UHFFFAOYSA-N
XLogP3.36
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 78884142
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 71893214
N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986112
N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47048043
N-(2-methyl-1,3-benzoxazol-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 46491961
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55757393
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55787366
ethyl 3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 53051791
N-[3-methyl-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119049246
N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 48500589
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 139005695
N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47052934

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 53051794) is N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1N(C)C.
What is the InChIKey of N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is WWZOLQPLGLSEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-6-7-14(9-16(12)22(2)3)20-18(23)15-10-17(24-21-15)13-5-4-8-19-11-13/h4-11H,1-3H3,(H,20,23).
What are the key properties of N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53051794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).