3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid

C19H20N2O4 — CID 136560207

IUPAC3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CCN(C(=O)c3cccc4c3CCC4)CC2)no1
InChIInChI=1S/C19H20N2O4/c22-18(15-6-2-4-12-3-1-5-14(12)15)21-9-7-13(8-10-21)16-11-17(19(23)24)25-20-16/h2,4,6,11,13H,1,3,5,7-10H2,(H,23,24)
InChIKeyGOEKTGWTUCHGGZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.88
Rot. Bonds3

About 3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid

3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid (PubChem CID 136560207) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
PubChem CID136560207
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CCN(C(=O)c3cccc4c3CCC4)CC2)no1
InChIInChI=1S/C19H20N2O4/c22-18(15-6-2-4-12-3-1-5-14(12)15)21-9-7-13(8-10-21)16-11-17(19(23)24)25-20-16/h2,4,6,11,13H,1,3,5,7-10H2,(H,23,24)
InChIKeyGOEKTGWTUCHGGZ-UHFFFAOYSA-N
XLogP2.88
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610702
3-cyclopentyl-1,2-oxazole-5-carboxylic acid
CID 56828658
(2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone
CID 136545688
2,3-dihydro-1H-inden-4-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone
CID 128883392
2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone
CID 119564206
N-methyl-1-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)piperidine-4-sulfonamide
CID 136545712
[3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92574689
(2R,3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122114525
(3S,4S)-1-(2,3-dihydro-1H-indene-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120949201
4-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]oxybenzonitrile
CID 127281932
morpholin-4-yl-[3-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone
CID 92574714
2,3-dihydro-1H-inden-4-yl-[(2R,3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methanone
CID 128989931

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid (CID 136560207) is 3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(C2CCN(C(=O)c3cccc4c3CCC4)CC2)no1.
What is the InChIKey of 3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is GOEKTGWTUCHGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(15-6-2-4-12-3-1-5-14(12)15)21-9-7-13(8-10-21)16-11-17(19(23)24)25-20-16/h2,4,6,11,13H,1,3,5,7-10H2,(H,23,24).
What are the key properties of 3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1H-indene-4-carbonyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 136560207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).