2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole

C17H25N5O — CID 75615615

IUPAC2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
SMILESCn1cncc1-c1nnc(C2CCN(CC3CCCCC3)C2)o1
InChIInChI=1S/C17H25N5O/c1-21-12-18-9-15(21)17-20-19-16(23-17)14-7-8-22(11-14)10-13-5-3-2-4-6-13/h9,12-14H,2-8,10-11H2,1H3
InChIKeyNQYBLSMJHLCTDP-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.84
Rot. Bonds4

About 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole

2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole (PubChem CID 75615615) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
PubChem CID75615615
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
SMILESCn1cncc1-c1nnc(C2CCN(CC3CCCCC3)C2)o1
InChIInChI=1S/C17H25N5O/c1-21-12-18-9-15(21)17-20-19-16(23-17)14-7-8-22(11-14)10-13-5-3-2-4-6-13/h9,12-14H,2-8,10-11H2,1H3
InChIKeyNQYBLSMJHLCTDP-UHFFFAOYSA-N
XLogP2.84
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclohexylpyrrolidin-3-yl)-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole
CID 75615616
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615413
2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 95849758
2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137228
1-(cyclohexylmethyl)-5-(3-methylimidazol-4-yl)triazole-4-carboxylic acid
CID 103115560
[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82668626
2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 51137304
2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol
CID 75131741
2-(3-methylimidazol-4-yl)-5-[[2-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
CID 75131779
2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 51137295
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole (CID 75615615) is 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole is Cn1cncc1-c1nnc(C2CCN(CC3CCCCC3)C2)o1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is NQYBLSMJHLCTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-21-12-18-9-15(21)17-20-19-16(23-17)14-7-8-22(11-14)10-13-5-3-2-4-6-13/h9,12-14H,2-8,10-11H2,1H3.
What are the key properties of 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole?
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 315.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(3-methylimidazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 75615615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).