N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide

C15H18N4O2 — CID 106104945

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
SMILESCn1ccc(CCNC(=O)c2cccc3c2OCCN3)n1
InChIInChI=1S/C15H18N4O2/c1-19-9-6-11(18-19)5-7-17-15(20)12-3-2-4-13-14(12)21-10-8-16-13/h2-4,6,9,16H,5,7-8,10H2,1H3,(H,17,20)
InChIKeyOBBCEBCZETWEKY-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.20
Rot. Bonds4

About N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide

N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide (PubChem CID 106104945) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
PubChem CID106104945
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
SMILESCn1ccc(CCNC(=O)c2cccc3c2OCCN3)n1
InChIInChI=1S/C15H18N4O2/c1-19-9-6-11(18-19)5-7-17-15(20)12-3-2-4-13-14(12)21-10-8-16-13/h2-4,6,9,16H,5,7-8,10H2,1H3,(H,17,20)
InChIKeyOBBCEBCZETWEKY-UHFFFAOYSA-N
XLogP1.20
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 106325257
2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103857
4-(3,4-dihydro-2H-1,4-benzoxazine-8-carbonylamino)-2-hydroxybutanoic acid
CID 107836065
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106104145
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106106203
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 106276424
2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103852
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106105003
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114332154
5-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 106106156
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615174
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106104946

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide (CID 106104945) is N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide is Cn1ccc(CCNC(=O)c2cccc3c2OCCN3)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The InChIKey is OBBCEBCZETWEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19-9-6-11(18-19)5-7-17-15(20)12-3-2-4-13-14(12)21-10-8-16-13/h2-4,6,9,16H,5,7-8,10H2,1H3,(H,17,20).
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 106104945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).