3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H17N3O2 — CID 42816577

IUPAC3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1C1=NOC(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C17H17N3O2/c1-12-6-2-3-8-14(12)15-10-16(22-20-15)17(21)19-11-13-7-4-5-9-18-13/h2-9,16H,10-11H2,1H3,(H,19,21)
InChIKeyZWIDUVDXGDESCL-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.20
Rot. Bonds4

About 3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 42816577) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID42816577
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1C1=NOC(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C17H17N3O2/c1-12-6-2-3-8-14(12)15-10-16(22-20-15)17(21)19-11-13-7-4-5-9-18-13/h2-9,16H,10-11H2,1H3,(H,19,21)
InChIKeyZWIDUVDXGDESCL-UHFFFAOYSA-N
XLogP2.20
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-3-(1-ethyl-3-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40642728
3-(2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3236235
(5R)-3-(2-methoxyphenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638470
3-(2-fluorophenyl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869153
(5R)-3-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638550
N-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095813
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 38116446
4-(methylamino)-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
CID 66266558
(1S,2S,3S,4S)-3-N-(2,6-dimethylphenyl)-2-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 23231975
(1R,2S,3R,4S)-3-N-(2,6-dimethylphenyl)-2-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 11878663
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136931

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 42816577) is 3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccccc1C1=NOC(C(=O)NCc2ccccn2)C1.
What is the InChIKey of 3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ZWIDUVDXGDESCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-6-2-3-8-14(12)15-10-16(22-20-15)17(21)19-11-13-7-4-5-9-18-13/h2-9,16H,10-11H2,1H3,(H,19,21).
What are the key properties of 3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42816577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).