ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide

C23H31N5O3 — CID 145069724

IUPACethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide
SMILESC=CCN(CCc1nc(C(C)(C)O)c(C)o1)C(=O)c1ccccc1-n1nccn1.CC
InChIInChI=1S/C21H25N5O3.C2H6/c1-5-13-25(14-10-18-24-19(15(2)29-18)21(3,4)28)20(27)16-8-6-7-9-17(16)26-22-11-12-23-26;1-2/h5-9,11-12,28H,1,10,13-14H2,2-4H3;1-2H3
InChIKeyWWUVVUOHKXNFOW-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.69
Rot. Bonds8

About ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide

ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide (PubChem CID 145069724) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound Nameethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide
PubChem CID145069724
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Nameethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide
SMILESC=CCN(CCc1nc(C(C)(C)O)c(C)o1)C(=O)c1ccccc1-n1nccn1.CC
InChIInChI=1S/C21H25N5O3.C2H6/c1-5-13-25(14-10-18-24-19(15(2)29-18)21(3,4)28)20(27)16-8-6-7-9-17(16)26-22-11-12-23-26;1-2/h5-9,11-12,28H,1,10,13-14H2,2-4H3;1-2H3
InChIKeyWWUVVUOHKXNFOW-UHFFFAOYSA-N
XLogP3.69
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide?
The IUPAC name of ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide (CID 145069724) is ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide is C=CCN(CCc1nc(C(C)(C)O)c(C)o1)C(=O)c1ccccc1-n1nccn1.CC.
What is the InChIKey of ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide?
The InChIKey is WWUVVUOHKXNFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3.C2H6/c1-5-13-25(14-10-18-24-19(15(2)29-18)21(3,4)28)20(27)16-8-6-7-9-17(16)26-22-11-12-23-26;1-2/h5-9,11-12,28H,1,10,13-14H2,2-4H3;1-2H3.
What are the key properties of ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide?
ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide has a molecular weight of 425.53 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-N-prop-2-enyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 145069724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).