N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H16N4O3 — CID 86923775

IUPACN-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nc2ccc(NC(=O)C(=O)c3c(C)nn(C)c3C)cc2o1
InChIInChI=1S/C16H16N4O3/c1-8-14(9(2)20(4)19-8)15(21)16(22)18-11-5-6-12-13(7-11)23-10(3)17-12/h5-7H,1-4H3,(H,18,22)
InChIKeyDLKFNCOZTCZDEB-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.31
Rot. Bonds3

About N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 86923775) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID86923775
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nc2ccc(NC(=O)C(=O)c3c(C)nn(C)c3C)cc2o1
InChIInChI=1S/C16H16N4O3/c1-8-14(9(2)20(4)19-8)15(21)16(22)18-11-5-6-12-13(7-11)23-10(3)17-12/h5-7H,1-4H3,(H,18,22)
InChIKeyDLKFNCOZTCZDEB-UHFFFAOYSA-N
XLogP2.31
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
methyl 2-chloro-5-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoate
CID 134063107
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 17461114
N-(3-chloro-4-piperidin-1-ylphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52692875
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
N,N-diethyl-4-[[2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzamide
CID 17458643
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889
2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115179128
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240
5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 87000879
5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid
CID 115163815
N-[4-(2-methoxyphenoxy)phenyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 27054340

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 86923775) is N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nc2ccc(NC(=O)C(=O)c3c(C)nn(C)c3C)cc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is DLKFNCOZTCZDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-8-14(9(2)20(4)19-8)15(21)16(22)18-11-5-6-12-13(7-11)23-10(3)17-12/h5-7H,1-4H3,(H,18,22).
What are the key properties of N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 86923775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).