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

C11H12N4O2S — CID 71789383

IUPACN-(3-methyl-1,2-thiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3n(n2)CCCO3)sn1
InChIInChI=1S/C11H12N4O2S/c1-7-5-9(18-14-7)12-11(16)8-6-10-15(13-8)3-2-4-17-10/h5-6H,2-4H2,1H3,(H,12,16)
InChIKeyKWSVRZDEGZWOLM-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.68
Rot. Bonds2

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

N-(3-methyl-1,2-thiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 71789383) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-thiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID71789383
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-(3-methyl-1,2-thiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3n(n2)CCCO3)sn1
InChIInChI=1S/C11H12N4O2S/c1-7-5-9(18-14-7)12-11(16)8-6-10-15(13-8)3-2-4-17-10/h5-6H,2-4H2,1H3,(H,12,16)
InChIKeyKWSVRZDEGZWOLM-UHFFFAOYSA-N
XLogP1.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789296
N-[(S)-5-oxo-3-pyrrolidinyl]-4-oxa-1,7a-diaza-6,7-dihydro-5H-indene-2-carboxamide
CID 97106797
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-2-carboxamide
CID 71789274
N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789346
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-(2-(dimethylamino)ethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789300
N-(5-oxopyrrolidin-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789391
N-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536763
N-butyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536764
N-isopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536765
N-(tert-butyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536768
N-allyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536769

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 71789383) is N-(3-methyl-1,2-thiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2-thiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is Cc1cc(NC(=O)c2cc3n(n2)CCCO3)sn1.
What is the InChIKey of N-(3-methyl-1,2-thiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is KWSVRZDEGZWOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-5-9(18-14-7)12-11(16)8-6-10-15(13-8)3-2-4-17-10/h5-6H,2-4H2,1H3,(H,12,16).
What are the key properties of N-(3-methyl-1,2-thiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(3-methyl-1,2-thiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-thiazol-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 71789383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).