5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

C20H22N6O4S — CID 16646329

IUPAC5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)oc1NCCCn1ccnc1
InChIInChI=1S/C20H22N6O4S/c21-14-18-20(23-6-1-8-25-9-7-22-15-25)30-19(24-18)16-2-4-17(5-3-16)31(27,28)26-10-12-29-13-11-26/h2-5,7,9,15,23H,1,6,8,10-13H2
InChIKeyWHAISRQECXDZNC-UHFFFAOYSA-N
MW442.50 g/mol
LogP1.93
Rot. Bonds8

About 5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile (PubChem CID 16646329) has the molecular formula C20H22N6O4S and a molecular weight of 442.50 g/mol. Its IUPAC name is 5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile
PubChem CID16646329
Molecular FormulaC20H22N6O4S
Molecular Weight442.50 g/mol
Exact Mass442.14
IUPAC Name5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)oc1NCCCn1ccnc1
InChIInChI=1S/C20H22N6O4S/c21-14-18-20(23-6-1-8-25-9-7-22-15-25)30-19(24-18)16-2-4-17(5-3-16)31(27,28)26-10-12-29-13-11-26/h2-5,7,9,15,23H,1,6,8,10-13H2
InChIKeyWHAISRQECXDZNC-UHFFFAOYSA-N
XLogP1.93
TPSA126.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile 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

5-(3-imidazol-1-ylpropylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile
CID 16646379
2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[3-(diethylamino)propylamino]-1,3-oxazole-4-carbonitrile
CID 16646438
2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[2-(dimethylamino)ethylamino]-1,3-oxazole-4-carbonitrile
CID 16646436
2-(3-imidazol-1-ylpropylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 17066696
5-(oxolan-2-ylmethylamino)-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile
CID 16646289
5-[3-(diethylamino)propylamino]-2-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-oxazole-4-carbonitrile
CID 51858803
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine
CID 4704867
5-(3-imidazol-1-ylpropylamino)-2-(2-phenylcyclopropyl)-1,3-oxazole-4-carbonitrile
CID 73253910
4-(benzenesulfonyl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazol-5-amine
CID 18825534
N-(3-imidazol-1-ylpropyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 3505589
2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 16646600
N-(3-imidazol-1-ylpropyl)-4-morpholin-4-ylaniline
CID 63180015

Frequently Asked Questions

What is the IUPAC name of 5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile (CID 16646329) is 5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)oc1NCCCn1ccnc1.
What is the InChIKey of 5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is WHAISRQECXDZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4S/c21-14-18-20(23-6-1-8-25-9-7-22-15-25)30-19(24-18)16-2-4-17(5-3-16)31(27,28)26-10-12-29-13-11-26/h2-5,7,9,15,23H,1,6,8,10-13H2.
What are the key properties of 5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile?
5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 442.50 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazol-1-ylpropylamino)-2-(4-morpholin-4-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 16646329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).