N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C16H19N3O3 — CID 90537094

IUPACN-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnn3c2OCCC3)cc1
InChIInChI=1S/C16H19N3O3/c1-21-13-5-3-12(4-6-13)7-8-17-15(20)14-11-18-19-9-2-10-22-16(14)19/h3-6,11H,2,7-10H2,1H3,(H,17,20)
InChIKeyKFNHWNWIWNWIGW-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.65
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 90537094) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID90537094
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnn3c2OCCC3)cc1
InChIInChI=1S/C16H19N3O3/c1-21-13-5-3-12(4-6-13)7-8-17-15(20)14-11-18-19-9-2-10-22-16(14)19/h3-6,11H,2,7-10H2,1H3,(H,17,20)
InChIKeyKFNHWNWIWNWIGW-UHFFFAOYSA-N
XLogP1.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-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-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789489
N-(3,4-dimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537178
N-[2-(4-chlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 91440664
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
N-[2-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 138014016
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260452
4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347543
7-methoxy-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812704
N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537177
N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182753
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 90537094) is N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is COc1ccc(CCNC(=O)c2cnn3c2OCCC3)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is KFNHWNWIWNWIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-13-5-3-12(4-6-13)7-8-17-15(20)14-11-18-19-9-2-10-22-16(14)19/h3-6,11H,2,7-10H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 90537094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).