N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C23H22N4O3 — CID 52993082

IUPACN-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H22N4O3/c28-20-13-18(14-27(20)19-8-2-1-3-9-19)22-25-26-23(30-22)24-21(29)17-11-10-15-6-4-5-7-16(15)12-17/h1-3,8-12,18H,4-7,13-14H2,(H,24,26,29)
InChIKeyKROMQJVJOSPFBX-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.72
Rot. Bonds4

About N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 52993082) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID52993082
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H22N4O3/c28-20-13-18(14-27(20)19-8-2-1-3-9-19)22-25-26-23(30-22)24-21(29)17-11-10-15-6-4-5-7-16(15)12-17/h1-3,8-12,18H,4-7,13-14H2,(H,24,26,29)
InChIKeyKROMQJVJOSPFBX-UHFFFAOYSA-N
XLogP3.72
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
CID 90603815
3,4-dimethyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603790
4-methylsulfanyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90603897
N-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 94921220
4-methoxy-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46393260
N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 46393291
4-fluoro-N-[5-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884631
4-fluoro-N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 46393282
3,4,5-trimethoxy-N-[5-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92884603
2-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 50837316
3-methyl-N-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92893088
5-nitro-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 90603851

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 52993082) is N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(Nc1nnc(C2CC(=O)N(c3ccccc3)C2)o1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is KROMQJVJOSPFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c28-20-13-18(14-27(20)19-8-2-1-3-9-19)22-25-26-23(30-22)24-21(29)17-11-10-15-6-4-5-7-16(15)12-17/h1-3,8-12,18H,4-7,13-14H2,(H,24,26,29).
What are the key properties of N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 52993082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).