N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H21N3O3 — CID 49353685

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)C2CC(c3ccccc3)=NO2)c1C
InChIInChI=1S/C19H21N3O3/c1-12-10-20-16(13(2)18(12)24-3)11-21-19(23)17-9-15(22-25-17)14-7-5-4-6-8-14/h4-8,10,17H,9,11H2,1-3H3,(H,21,23)
InChIKeyHPGJRVLEUVUCRO-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.52
Rot. Bonds5

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 49353685) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID49353685
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)C2CC(c3ccccc3)=NO2)c1C
InChIInChI=1S/C19H21N3O3/c1-12-10-20-16(13(2)18(12)24-3)11-21-19(23)17-9-15(22-25-17)14-7-5-4-6-8-14/h4-8,10,17H,9,11H2,1-3H3,(H,21,23)
InChIKeyHPGJRVLEUVUCRO-UHFFFAOYSA-N
XLogP2.52
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

(3R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94353144
2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 106107378
(5S)-3-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 52534801
(5R)-3-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 129360275
(5R)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 30216146
(5S)-N-[(2-fluorophenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 30216143
trans-(1R,2R)-2-(2-chlorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 94353124
trans-(1R,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 95302740
2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 81369512
cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-nitrocyclopropane-1-carboxamide
CID 94353102
N-[(3-methyloxetan-3-yl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 78957069
N-[2-(2-methylprop-2-enoxy)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 115700378

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 49353685) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1c(C)cnc(CNC(=O)C2CC(c3ccccc3)=NO2)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is HPGJRVLEUVUCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-10-20-16(13(2)18(12)24-3)11-21-19(23)17-9-15(22-25-17)14-7-5-4-6-8-14/h4-8,10,17H,9,11H2,1-3H3,(H,21,23).
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 49353685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).