[4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine

C17H19N5O4S — CID 137133488

IUPAC[4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESNCc1ccc(-c2noc(-c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)n2)cc1
InChIInChI=1S/C17H19N5O4S/c18-10-12-1-3-13(4-2-12)16-20-17(26-21-16)15-9-14(11-19-15)27(23,24)22-5-7-25-8-6-22/h1-4,9,11,19H,5-8,10,18H2
InChIKeyROVMKRTXSGEYPV-UHFFFAOYSA-N
MW389.44 g/mol
LogP1.21
Rot. Bonds5

About [4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine

[4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine (PubChem CID 137133488) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is [4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
PubChem CID137133488
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC Name[4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESNCc1ccc(-c2noc(-c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)n2)cc1
InChIInChI=1S/C17H19N5O4S/c18-10-12-1-3-13(4-2-12)16-20-17(26-21-16)15-9-14(11-19-15)27(23,24)22-5-7-25-8-6-22/h1-4,9,11,19H,5-8,10,18H2
InChIKeyROVMKRTXSGEYPV-UHFFFAOYSA-N
XLogP1.21
TPSA127.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 137096132
[4-[5-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120893278
4-[4-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 53075372
4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine
CID 45492959
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
CID 53042642
4-[4-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 53075377
[4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120892568
N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53075365
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-morpholin-4-ylsulfonylbenzoate
CID 16521576
N-[4-[[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 53075358
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 56569809
4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 46329228

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine (CID 137133488) is [4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine is NCc1ccc(-c2noc(-c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)n2)cc1.
What is the InChIKey of [4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The InChIKey is ROVMKRTXSGEYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c18-10-12-1-3-13(4-2-12)16-20-17(26-21-16)15-9-14(11-19-15)27(23,24)22-5-7-25-8-6-22/h1-4,9,11,19H,5-8,10,18H2.
What are the key properties of [4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
[4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine has a molecular weight of 389.44 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 137133488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).