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

C22H32N4O2 — CID 46023691

IUPACN-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
SMILESCCN(CC)c1onc(-c2ccccc2)c1CN(CCN(C)C)C(=O)C1CC1
InChIInChI=1S/C22H32N4O2/c1-5-25(6-2)22-19(20(23-28-22)17-10-8-7-9-11-17)16-26(15-14-24(3)4)21(27)18-12-13-18/h7-11,18H,5-6,12-16H2,1-4H3
InChIKeyFJNRUGDPYYBWBE-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.49
Rot. Bonds10

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

N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide (PubChem CID 46023691) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
PubChem CID46023691
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
SMILESCCN(CC)c1onc(-c2ccccc2)c1CN(CCN(C)C)C(=O)C1CC1
InChIInChI=1S/C22H32N4O2/c1-5-25(6-2)22-19(20(23-28-22)17-10-8-7-9-11-17)16-26(15-14-24(3)4)21(27)18-12-13-18/h7-11,18H,5-6,12-16H2,1-4H3
InChIKeyFJNRUGDPYYBWBE-UHFFFAOYSA-N
XLogP3.49
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[methyl(propan-2-yl)amino]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
CID 46023433
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 24719645
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93206878
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93206867
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93206888
4-chloro-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46018918
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 24719644
N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 46027779
N-[2-(dimethylamino)ethyl]-N-[[5-[(2S)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222414
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 42840156
1-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-ethyl-1-(3-methylbutyl)thiourea
CID 46023361

Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide (CID 46023691) is N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide is CCN(CC)c1onc(-c2ccccc2)c1CN(CCN(C)C)C(=O)C1CC1.
What is the InChIKey of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is FJNRUGDPYYBWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-5-25(6-2)22-19(20(23-28-22)17-10-8-7-9-11-17)16-26(15-14-24(3)4)21(27)18-12-13-18/h7-11,18H,5-6,12-16H2,1-4H3.
What are the key properties of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide?
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 384.52 g/mol, XLogP of 3.49, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 46023691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).