N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C15H22N4O3 — CID 136568056

IUPACN-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESNC(=O)CC1(NC(=O)c2cnn3c2OCCC3)CCCCC1
InChIInChI=1S/C15H22N4O3/c16-12(20)9-15(5-2-1-3-6-15)18-13(21)11-10-17-19-7-4-8-22-14(11)19/h10H,1-9H2,(H2,16,20)(H,18,21)
InChIKeyUGBPTTLDBFQLJI-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.97
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 136568056) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID136568056
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESNC(=O)CC1(NC(=O)c2cnn3c2OCCC3)CCCCC1
InChIInChI=1S/C15H22N4O3/c16-12(20)9-15(5-2-1-3-6-15)18-13(21)11-10-17-19-7-4-8-22-14(11)19/h10H,1-9H2,(H2,16,20)(H,18,21)
InChIKeyUGBPTTLDBFQLJI-UHFFFAOYSA-N
XLogP0.97
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-amino-2-oxoethyl)cyclohexyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 136568056) is N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is NC(=O)CC1(NC(=O)c2cnn3c2OCCC3)CCCCC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is UGBPTTLDBFQLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c16-12(20)9-15(5-2-1-3-6-15)18-13(21)11-10-17-19-7-4-8-22-14(11)19/h10H,1-9H2,(H2,16,20)(H,18,21).
What are the key properties of N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)cyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 136568056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).