1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide

C23H34N4O3 — CID 86974095

IUPAC1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1nc(CNC(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C23H34N4O3/c1-22(2,3)20-25-18(26-30-20)13-24-19(28)17-5-4-6-27(17)21(29)23-10-14-7-15(11-23)9-16(8-14)12-23/h14-17H,4-13H2,1-3H3,(H,24,28)
InChIKeyRBWHGEMDSGQCOH-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.19
Rot. Bonds4

About 1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide

1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 86974095) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID86974095
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1nc(CNC(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C23H34N4O3/c1-22(2,3)20-25-18(26-30-20)13-24-19(28)17-5-4-6-27(17)21(29)23-10-14-7-15(11-23)9-16(8-14)12-23/h14-17H,4-13H2,1-3H3,(H,24,28)
InChIKeyRBWHGEMDSGQCOH-UHFFFAOYSA-N
XLogP3.19
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(adamantan-1-ylamino)-1-[(S)-2-(5-methyl-[1,2,4]oxadiazole-3-carbonyl)-pyrrolidin-1-yl]-ethanone
CID 44432894
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-1-ylcyclohexanecarboxamide
CID 91789309
1-(cyclohexylcarbonyl)-N-({3-[(methylamino)carbonyl]-1,2,4-oxadiazol-5-yl}methyl)-L-prolinamide
CID 118789957
1-[(4S)-2-(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)-4-fluoropyrrolidin-1-yl]-2-[(1-cyclohexyl-2-methylpropan-2-yl)amino]ethanone
CID 11247589
3-(1-adamantyl)-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 120836476
3-(1-Adamantyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120836489
3-(1-Adamantyl)-5-(4,4-difluoropyrrolidin-2-yl)-1,2,4-oxadiazole
CID 120836490
1-(2-adamantyl)-3-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]urea
CID 128175842
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]adamantane-1-carboxamide
CID 45505613
2-(1-adamantyl)-N-{1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide
CID 46984957
2-(1-adamantyl)-N-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]acetamide
CID 53544884
N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56907158

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide (CID 86974095) is 1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide is CC(C)(C)c1nc(CNC(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is RBWHGEMDSGQCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-22(2,3)20-25-18(26-30-20)13-24-19(28)17-5-4-6-27(17)21(29)23-10-14-7-15(11-23)9-16(8-14)12-23/h14-17H,4-13H2,1-3H3,(H,24,28).
What are the key properties of 1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86974095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).