N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide

C16H16N4O2 — CID 70777582

IUPACN,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)c1cnn(C)c1
InChIInChI=1S/C16H16N4O2/c1-19(16(21)13-9-17-20(2)10-13)11-14-8-15(18-22-14)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyJBNBVINSEQJTHU-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.35
Rot. Bonds4

About N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide

N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide (PubChem CID 70777582) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
PubChem CID70777582
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCN(Cc1cc(-c2ccccc2)no1)C(=O)c1cnn(C)c1
InChIInChI=1S/C16H16N4O2/c1-19(16(21)13-9-17-20(2)10-13)11-14-8-15(18-22-14)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyJBNBVINSEQJTHU-UHFFFAOYSA-N
XLogP2.35
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72902762
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 70786939
N,1-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]indole-3-carboxamide
CID 91773666
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(propanoylamino)benzamide
CID 46989874
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 42153985
6-amino-N-methyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 70776271
N-methyl-4-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 131898307
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
1-(cyclohexylmethyl)-N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxamide
CID 42212202
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51336601
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
N,2-dimethyl-7-oxo-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 56909999

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide (CID 70777582) is N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide is CN(Cc1cc(-c2ccccc2)no1)C(=O)c1cnn(C)c1.
What is the InChIKey of N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is JBNBVINSEQJTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-19(16(21)13-9-17-20(2)10-13)11-14-8-15(18-22-14)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide?
N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 70777582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).