[3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

C13H14ClN3O2 — CID 117448755

IUPAC[3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2cc(Cl)ccc2OCC2CC2)no1
InChIInChI=1S/C13H14ClN3O2/c14-9-3-4-11(18-7-8-1-2-8)10(5-9)13-16-12(6-15)19-17-13/h3-5,8H,1-2,6-7,15H2
InChIKeyOHJGNYXZSGZMRQ-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.64
Rot. Bonds5

About [3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117448755) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is [3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117448755
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name[3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2cc(Cl)ccc2OCC2CC2)no1
InChIInChI=1S/C13H14ClN3O2/c14-9-3-4-11(18-7-8-1-2-8)10(5-9)13-16-12(6-15)19-17-13/h3-5,8H,1-2,6-7,15H2
InChIKeyOHJGNYXZSGZMRQ-UHFFFAOYSA-N
XLogP2.64
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine with MolForge

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Related Compounds

[3-[4-(cyclopropylmethoxy)-3-fluorophenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117412205
[3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 71829645
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117473792
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
3-(5-chloro-2-ethoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 102538099
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-fluorophenol
CID 137011460
[3-(2-chloro-3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117427190
O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
CID 117356424
3-(5-chloro-2-propoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 102538107
[3-[[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752157
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-methylphenol
CID 136952236

Frequently Asked Questions

What is the IUPAC name of [3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 117448755) is [3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2cc(Cl)ccc2OCC2CC2)no1.
What is the InChIKey of [3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is OHJGNYXZSGZMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c14-9-3-4-11(18-7-8-1-2-8)10(5-9)13-16-12(6-15)19-17-13/h3-5,8H,1-2,6-7,15H2.
What are the key properties of [3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 279.73 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-chloro-2-(cyclopropylmethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117448755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).