N-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C11H14N4O3 — CID 97106797

IUPACN-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C1C[C@H](NC(=O)c2cc3n(n2)CCCO3)CN1
InChIInChI=1S/C11H14N4O3/c16-9-4-7(6-12-9)13-11(17)8-5-10-15(14-8)2-1-3-18-10/h5,7H,1-4,6H2,(H,12,16)(H,13,17)/t7-/m0/s1
InChIKeyPCICQSKXAQJKSI-ZETCQYMHSA-N
MW250.26 g/mol
LogP-0.72
Rot. Bonds2

About N-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 97106797) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID97106797
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C1C[C@H](NC(=O)c2cc3n(n2)CCCO3)CN1
InChIInChI=1S/C11H14N4O3/c16-9-4-7(6-12-9)13-11(17)8-5-10-15(14-8)2-1-3-18-10/h5,7H,1-4,6H2,(H,12,16)(H,13,17)/t7-/m0/s1
InChIKeyPCICQSKXAQJKSI-ZETCQYMHSA-N
XLogP-0.72
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-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-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789296
ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamido)acetate
CID 71789299
N-(2-(cyclohex-1-en-1-yl)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789301
N-(2-(ethylsulfonyl)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789395
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789350
ethyl 6-amino-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-2-carboxylate hydrochloride
CID 165652574
tert-butyl N-{2-formyl-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazin-6-yl}carbamate
CID 165989805
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-2-carboxamide
CID 71789274
ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamido)piperidine-1-carboxylate
CID 71789359
N-(2-oxotetrahydrothiophen-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789362
N-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789379
N-(3-methylisothiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789383

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 97106797) is N-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C1C[C@H](NC(=O)c2cc3n(n2)CCCO3)CN1.
What is the InChIKey of N-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is PCICQSKXAQJKSI-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-9-4-7(6-12-9)13-11(17)8-5-10-15(14-8)2-1-3-18-10/h5,7H,1-4,6H2,(H,12,16)(H,13,17)/t7-/m0/s1.
What are the key properties of N-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 250.26 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 97106797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).