2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid

C17H17N3O4 — CID 166313891

IUPAC2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)N(C(=O)c1cnn3c1OCCC3)CC2
InChIInChI=1S/C17H17N3O4/c21-15(22)9-11-2-3-12-4-6-19(14(12)8-11)16(23)13-10-18-20-5-1-7-24-17(13)20/h2-3,8,10H,1,4-7,9H2,(H,21,22)
InChIKeyMBFUYEVOKABVQF-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.50
Rot. Bonds3

About 2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid

2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid (PubChem CID 166313891) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid
PubChem CID166313891
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)N(C(=O)c1cnn3c1OCCC3)CC2
InChIInChI=1S/C17H17N3O4/c21-15(22)9-11-2-3-12-4-6-19(14(12)8-11)16(23)13-10-18-20-5-1-7-24-17(13)20/h2-3,8,10H,1,4-7,9H2,(H,21,22)
InChIKeyMBFUYEVOKABVQF-UHFFFAOYSA-N
XLogP1.50
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid with MolForge

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Related Compounds

2-[1-(2-cyclopropyl-1,3-oxazole-5-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetic acid
CID 167900966
2-[1-(3,4-dihydro-1H-isochromene-1-carbonyl)-2,3-dihydroindol-6-yl]acetic acid
CID 166313890
[4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
CID 71789428
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone
CID 90537019
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)propan-2-one
CID 84657303
N-[[4-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789489
N-[2-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537094
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate
CID 71789514
N-(4-hydroxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537133
N-prop-2-enyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537052
N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537177
methyl (2S)-1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 97106812

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid?
The IUPAC name of 2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid (CID 166313891) is 2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid.
What is the SMILES notation for 2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid?
The canonical SMILES for 2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid is O=C(O)Cc1ccc2c(c1)N(C(=O)c1cnn3c1OCCC3)CC2.
What is the InChIKey of 2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid?
The InChIKey is MBFUYEVOKABVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-15(22)9-11-2-3-12-4-6-19(14(12)8-11)16(23)13-10-18-20-5-1-7-24-17(13)20/h2-3,8,10H,1,4-7,9H2,(H,21,22).
What are the key properties of 2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid?
2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid has a molecular weight of 327.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)-2,3-dihydroindol-6-yl]acetic acid is sourced from PubChem (CID 166313891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).