2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid

C13H15N3O3S — CID 43656421

IUPAC2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1noc(-c2cccs2)n1)CC1CC1
InChIInChI=1S/C13H15N3O3S/c17-12(18)8-16(6-9-3-4-9)7-11-14-13(19-15-11)10-2-1-5-20-10/h1-2,5,9H,3-4,6-8H2,(H,17,18)
InChIKeyRSFDZFNPZNIFCW-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.09
Rot. Bonds7

About 2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid

2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid (PubChem CID 43656421) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
PubChem CID43656421
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1noc(-c2cccs2)n1)CC1CC1
InChIInChI=1S/C13H15N3O3S/c17-12(18)8-16(6-9-3-4-9)7-11-14-13(19-15-11)10-2-1-5-20-10/h1-2,5,9H,3-4,6-8H2,(H,17,18)
InChIKeyRSFDZFNPZNIFCW-UHFFFAOYSA-N
XLogP2.09
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid with MolForge

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Related Compounds

4-N-methyl-4-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 79121097
3-[propan-2-yl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 60833768
4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid
CID 60809560
1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 100682947
5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol
CID 107203786
(2R)-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104875390
2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115638239
2-[cyclopropyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetic acid
CID 54945171
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 95292421
3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 107072602
3,3,3-trifluoro-2-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
CID 79791998
N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 66213913

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid (CID 43656421) is 2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid is O=C(O)CN(Cc1noc(-c2cccs2)n1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
The InChIKey is RSFDZFNPZNIFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-12(18)8-16(6-9-3-4-9)7-11-14-13(19-15-11)10-2-1-5-20-10/h1-2,5,9H,3-4,6-8H2,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid has a molecular weight of 293.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid is sourced from PubChem (CID 43656421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).