2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid

C14H15N3O3 — CID 64618321

IUPAC2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C14H15N3O3/c18-13(19)6-10-7-17(8-10)9-12-15-14(16-20-12)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,18,19)
InChIKeySDPYBFLSYHGPPP-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.64
Rot. Bonds5

About 2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid

2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid (PubChem CID 64618321) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid
PubChem CID64618321
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C14H15N3O3/c18-13(19)6-10-7-17(8-10)9-12-15-14(16-20-12)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,18,19)
InChIKeySDPYBFLSYHGPPP-UHFFFAOYSA-N
XLogP1.64
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137340517
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041
2-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]azepan-4-yl]acetic acid;hydrochloride
CID 120953609
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 103897934
(3S,4S)-4-morpholin-4-yl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 74229739
(3S)-N-(cyclopropylmethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94028331
(3R)-N-(cyclopropylmethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94028332
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 38115046
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 80702356
(3-methylpiperidin-1-yl)-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 43929304

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid (CID 64618321) is 2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(Cc2nc(-c3ccccc3)no2)C1.
What is the InChIKey of 2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid?
The InChIKey is SDPYBFLSYHGPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13(19)6-10-7-17(8-10)9-12-15-14(16-20-12)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,18,19).
What are the key properties of 2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid?
2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).