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

C23H34N4O2 — CID 42843712

IUPACN-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide
SMILESCC(C)CC(=O)N(CCN(C)C)Cc1c(-c2ccccc2)noc1N1CCCC1
InChIInChI=1S/C23H34N4O2/c1-18(2)16-21(28)27(15-14-25(3)4)17-20-22(19-10-6-5-7-11-19)24-29-23(20)26-12-8-9-13-26/h5-7,10-11,18H,8-9,12-17H2,1-4H3
InChIKeyMDARPUXJBSEEFQ-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.88
Rot. Bonds9

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

N-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide (PubChem CID 42843712) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide
PubChem CID42843712
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide
SMILESCC(C)CC(=O)N(CCN(C)C)Cc1c(-c2ccccc2)noc1N1CCCC1
InChIInChI=1S/C23H34N4O2/c1-18(2)16-21(28)27(15-14-25(3)4)17-20-22(19-10-6-5-7-11-19)24-29-23(20)26-12-8-9-13-26/h5-7,10-11,18H,8-9,12-17H2,1-4H3
InChIKeyMDARPUXJBSEEFQ-UHFFFAOYSA-N
XLogP3.88
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46027790
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
N-[2-(dimethylamino)ethyl]-3-methoxy-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46027793
N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 24718080
N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 24719752
N-(3-methylbutyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide
CID 46015804
N-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(3-methoxypropyl)-3-methylbutanamide
CID 42841539
N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide
CID 46027892
1-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-1-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]thiourea
CID 42843750
N-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamide
CID 46023419
N-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 46023417

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide (CID 42843712) is N-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide is CC(C)CC(=O)N(CCN(C)C)Cc1c(-c2ccccc2)noc1N1CCCC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide?
The InChIKey is MDARPUXJBSEEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-18(2)16-21(28)27(15-14-25(3)4)17-20-22(19-10-6-5-7-11-19)24-29-23(20)26-12-8-9-13-26/h5-7,10-11,18H,8-9,12-17H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide?
N-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide has a molecular weight of 398.55 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]butanamide is sourced from PubChem (CID 42843712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).