N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C15H16N4O3 — CID 146123555

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCc1cc(CNC(=O)c2ccc3c(c2)NC(=O)CO3)n(C)n1
InChIInChI=1S/C15H16N4O3/c1-9-5-11(19(2)18-9)7-16-15(21)10-3-4-13-12(6-10)17-14(20)8-22-13/h3-6H,7-8H2,1-2H3,(H,16,21)(H,17,20)
InChIKeyAMIPPLDKFYRLPP-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.99
Rot. Bonds3

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 146123555) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID146123555
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCc1cc(CNC(=O)c2ccc3c(c2)NC(=O)CO3)n(C)n1
InChIInChI=1S/C15H16N4O3/c1-9-5-11(19(2)18-9)7-16-15(21)10-3-4-13-12(6-10)17-14(20)8-22-13/h3-6H,7-8H2,1-2H3,(H,16,21)(H,17,20)
InChIKeyAMIPPLDKFYRLPP-UHFFFAOYSA-N
XLogP0.99
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53013560
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46286909
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 83274535
3-oxo-N-(2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 53362064
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]acetate
CID 60811784
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 847892
N-[(2-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023814
N-(3-amino-2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 119998216
N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 120655100
N-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 119055488
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55381378
N-(2-amino-2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 119639796

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 146123555) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is Cc1cc(CNC(=O)c2ccc3c(c2)NC(=O)CO3)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is AMIPPLDKFYRLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9-5-11(19(2)18-9)7-16-15(21)10-3-4-13-12(6-10)17-14(20)8-22-13/h3-6H,7-8H2,1-2H3,(H,16,21)(H,17,20).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 146123555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).