N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide

C26H32N4O3 — CID 46027793

IUPACN-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)N(CCN(C)C)Cc2c(-c3ccccc3)noc2N2CCCC2)c1
InChIInChI=1S/C26H32N4O3/c1-28(2)16-17-30(25(31)21-12-9-13-22(18-21)32-3)19-23-24(20-10-5-4-6-11-20)27-33-26(23)29-14-7-8-15-29/h4-6,9-13,18H,7-8,14-17,19H2,1-3H3
InChIKeyCTOLVNZSFBWYGQ-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.15
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide

N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (PubChem CID 46027793) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
PubChem CID46027793
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)N(CCN(C)C)Cc2c(-c3ccccc3)noc2N2CCCC2)c1
InChIInChI=1S/C26H32N4O3/c1-28(2)16-17-30(25(31)21-12-9-13-22(18-21)32-3)19-23-24(20-10-5-4-6-11-20)27-33-26(23)29-14-7-8-15-29/h4-6,9-13,18H,7-8,14-17,19H2,1-3H3
InChIKeyCTOLVNZSFBWYGQ-UHFFFAOYSA-N
XLogP4.15
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-(2-methoxyethyl)-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 46153579
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46027790
3-methoxy-N-(3-methylbutyl)-N-[[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 42843865
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 24719374
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 24719362
3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 24718133
N-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide
CID 42843712
N-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 46023417
2-methoxy-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 24719794
N-(2-methoxyethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 46027834
N-[2-(dimethylamino)ethyl]-N-[[5-[(2S)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222414
4-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylbenzamide
CID 24718090

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide (CID 46027793) is N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is COc1cccc(C(=O)N(CCN(C)C)Cc2c(-c3ccccc3)noc2N2CCCC2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
The InChIKey is CTOLVNZSFBWYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-28(2)16-17-30(25(31)21-12-9-13-22(18-21)32-3)19-23-24(20-10-5-4-6-11-20)27-33-26(23)29-14-7-8-15-29/h4-6,9-13,18H,7-8,14-17,19H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide?
N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide has a molecular weight of 448.57 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 46027793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).