[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine

C18H18N4O3S — CID 167776941

IUPAC[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine
SMILESCS(=O)(=O)N1CCc2cc(-c3nc(C(N)c4ccccc4)no3)ccc21
InChIInChI=1S/C18H18N4O3S/c1-26(23,24)22-10-9-13-11-14(7-8-15(13)22)18-20-17(21-25-18)16(19)12-5-3-2-4-6-12/h2-8,11,16H,9-10,19H2,1H3
InChIKeyBTVOUSAKIBXJPZ-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.11
Rot. Bonds4

About [5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine

[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine (PubChem CID 167776941) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is [5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine.

Molecular Properties

Compound Name[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine
PubChem CID167776941
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine
SMILESCS(=O)(=O)N1CCc2cc(-c3nc(C(N)c4ccccc4)no3)ccc21
InChIInChI=1S/C18H18N4O3S/c1-26(23,24)22-10-9-13-11-14(7-8-15(13)22)18-20-17(21-25-18)16(19)12-5-3-2-4-6-12/h2-8,11,16H,9-10,19H2,1H3
InChIKeyBTVOUSAKIBXJPZ-UHFFFAOYSA-N
XLogP2.11
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120865715
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole
CID 31263057
2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole
CID 9356449
N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777596
(2-amino-2-oxo-1-phenylethyl) 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 46691627
1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 82341039
2-(3-ethoxyphenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole
CID 9356452
5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 119035720
4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 9343863
N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide
CID 39974919
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55385480

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine?
The IUPAC name of [5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine (CID 167776941) is [5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine.
What is the SMILES notation for [5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine?
The canonical SMILES for [5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine is CS(=O)(=O)N1CCc2cc(-c3nc(C(N)c4ccccc4)no3)ccc21.
What is the InChIKey of [5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine?
The InChIKey is BTVOUSAKIBXJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-26(23,24)22-10-9-13-11-14(7-8-15(13)22)18-20-17(21-25-18)16(19)12-5-3-2-4-6-12/h2-8,11,16H,9-10,19H2,1H3.
What are the key properties of [5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine?
[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine has a molecular weight of 370.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine is sourced from PubChem (CID 167776941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).