N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide

C17H15N3O2 — CID 75449878

IUPACN-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N(Cc1ccccc1)c1ccncc1
InChIInChI=1S/C17H15N3O2/c1-13-16(19-12-22-13)17(21)20(15-7-9-18-10-8-15)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyPWSFSTOBRPGZFN-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.23
Rot. Bonds4

About N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide

N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 75449878) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID75449878
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N(Cc1ccccc1)c1ccncc1
InChIInChI=1S/C17H15N3O2/c1-13-16(19-12-22-13)17(21)20(15-7-9-18-10-8-15)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3
InChIKeyPWSFSTOBRPGZFN-UHFFFAOYSA-N
XLogP3.23
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide
CID 126797224
pyridin-4-yl(pyridin-4-ylmethyl)carbamic acid
CID 66997302
N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 75449858
3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 69133595
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 126544270
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
5-methyl-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-oxazole-4-carboxamide
CID 74231372
N,N-dibenzylpyridin-4-amine
CID 15006775
N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 22830347
N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide
CID 52733507
1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea
CID 75421427

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide (CID 75449878) is N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N(Cc1ccccc1)c1ccncc1.
What is the InChIKey of N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is PWSFSTOBRPGZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-13-16(19-12-22-13)17(21)20(15-7-9-18-10-8-15)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3.
What are the key properties of N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide?
N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75449878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).