N-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide

C24H27N3O3 — CID 123744245

IUPACN-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide
SMILESCCCN(CCCC1CC(=O)N(c2cccc3ccccc23)C1)C(=O)c1ncco1
InChIInChI=1S/C24H27N3O3/c1-2-13-26(24(29)23-25-12-15-30-23)14-6-7-18-16-22(28)27(17-18)21-11-5-9-19-8-3-4-10-20(19)21/h3-5,8-12,15,18H,2,6-7,13-14,16-17H2,1H3
InChIKeyZRACWHKQEPTEBL-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.51
Rot. Bonds8

About N-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide

N-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide (PubChem CID 123744245) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide
PubChem CID123744245
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide
SMILESCCCN(CCCC1CC(=O)N(c2cccc3ccccc23)C1)C(=O)c1ncco1
InChIInChI=1S/C24H27N3O3/c1-2-13-26(24(29)23-25-12-15-30-23)14-6-7-18-16-22(28)27(17-18)21-11-5-9-19-8-3-4-10-20(19)21/h3-5,8-12,15,18H,2,6-7,13-14,16-17H2,1H3
InChIKeyZRACWHKQEPTEBL-UHFFFAOYSA-N
XLogP4.51
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide with MolForge

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Related Compounds

7-(Naphthalen-2-ylamino)-1-(1,3-oxazol-2-yl)heptan-1-one
CID 44350719
[4-[5-Hydroxy-1-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidin-3-yl]piperidin-1-yl]-(1,3-oxazol-2-yl)methanone
CID 123904764
3-Naphthalen-1-yl-1,3-oxazol-3-ium
CID 67711451
1-[3-(2-Methylphenyl)phenyl]-4-[4-(1,3-oxazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653937
1-[3-(2-Methylphenyl)phenyl]-4-[1-(1,3-oxazole-2-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 123376021
1-(3-Iodophenyl)-4-[1-(1,3-oxazole-2-carbonyl)azepan-4-yl]pyrrolidin-2-one
CID 144875681
1-[4-(3-Methylphenyl)phenyl]-4-[[1-(1,3-oxazole-2-carbonyl)azepan-4-yl]methyl]pyrrolidin-2-one
CID 144875692
N-[3-cyano-2-[(3R,5R)-1-cyano-5-methylpyrrolidin-3-yl]phenyl]-1,3-oxazole-2-carboxamide
CID 155711949
N-[3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide
CID 156341327
5-methyl-N-naphthalen-1-yl-1,3-oxazole-2-carboxamide
CID 84579822
[4-(2,3-Dimethylphenyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone
CID 108473370
1,3-Oxazol-2-yl-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone
CID 126830105

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide (CID 123744245) is N-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide is CCCN(CCCC1CC(=O)N(c2cccc3ccccc23)C1)C(=O)c1ncco1.
What is the InChIKey of N-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide?
The InChIKey is ZRACWHKQEPTEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-13-26(24(29)23-25-12-15-30-23)14-6-7-18-16-22(28)27(17-18)21-11-5-9-19-8-3-4-10-20(19)21/h3-5,8-12,15,18H,2,6-7,13-14,16-17H2,1H3.
What are the key properties of N-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide?
N-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-naphthalen-1-yl-5-oxopyrrolidin-3-yl)propyl]-N-propyl-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 123744245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).