2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid

C10H13NO3 — CID 82400503

IUPAC2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid
SMILESO=C(O)Cc1noc2c1CCCCC2
InChIInChI=1S/C10H13NO3/c12-10(13)6-8-7-4-2-1-3-5-9(7)14-11-8/h1-6H2,(H,12,13)
InChIKeyRLSZXCGENVFOGQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.57
Rot. Bonds2

About 2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid

2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid (PubChem CID 82400503) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid
PubChem CID82400503
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid
SMILESO=C(O)Cc1noc2c1CCCCC2
InChIInChI=1S/C10H13NO3/c12-10(13)6-8-7-4-2-1-3-5-9(7)14-11-8/h1-6H2,(H,12,13)
InChIKeyRLSZXCGENVFOGQ-UHFFFAOYSA-N
XLogP1.57
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanol
CID 23006254
3-ethyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 89006897
5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethanol
CID 23006253
N,2-dimethyl-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanamide
CID 159530165
1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)-N-methylmethanamine
CID 23006277
2-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)acetic acid
CID 83858738
2-(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)acetic acid
CID 84665374
ethane;ethane;methyl-[3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoyl]azanide;yttrium
CID 162203367
6-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethylamino)pyridine-2-carboxylic acid
CID 122057504
3-[(1R,2R,3R)-2,3-dimethylcyclopentyl]propanoic acid;ethane;3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)propanoic acid;tungsten
CID 158642845
3-(piperazin-1-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole
CID 82510616
3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethylsulfanyl)propane-1,2-diol
CID 71924614

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid (CID 82400503) is 2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid is O=C(O)Cc1noc2c1CCCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid?
The InChIKey is RLSZXCGENVFOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-10(13)6-8-7-4-2-1-3-5-9(7)14-11-8/h1-6H2,(H,12,13).
What are the key properties of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid?
2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid has a molecular weight of 195.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)acetic acid is sourced from PubChem (CID 82400503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).