N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C14H16N4O2 — CID 61460848

IUPACN-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(NCCn1cccn1)C1CNc2ccccc2O1
InChIInChI=1S/C14H16N4O2/c19-14(15-7-9-18-8-3-6-17-18)13-10-16-11-4-1-2-5-12(11)20-13/h1-6,8,13,16H,7,9-10H2,(H,15,19)
InChIKeyGFXDFGHITXPBGS-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.87
Rot. Bonds4

About N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 61460848) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID61460848
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(NCCn1cccn1)C1CNc2ccccc2O1
InChIInChI=1S/C14H16N4O2/c19-14(15-7-9-18-8-3-6-17-18)13-10-16-11-4-1-2-5-12(11)20-13/h1-6,8,13,16H,7,9-10H2,(H,15,19)
InChIKeyGFXDFGHITXPBGS-UHFFFAOYSA-N
XLogP0.87
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 61324510
N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43242556
N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43173377
N-[(1-methylpyrrol-2-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106416776
N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24706737
N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43298737
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106416373
N-[1-(ethylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43401495
N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 63823743
N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 116786757
tert-butyl 2-[[(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino]acetate
CID 67626027
N-(6-oxo-1H-pyridazin-3-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 116786941

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 61460848) is N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is O=C(NCCn1cccn1)C1CNc2ccccc2O1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is GFXDFGHITXPBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-14(15-7-9-18-8-3-6-17-18)13-10-16-11-4-1-2-5-12(11)20-13/h1-6,8,13,16H,7,9-10H2,(H,15,19).
What are the key properties of N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 61460848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).