5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole

C21H21N5O — CID 124752027

IUPAC5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
SMILESCn1c([C@@H]2CCCN2Cc2cc(-c3cccnc3)no2)nc2ccccc21
InChIInChI=1S/C21H21N5O/c1-25-19-8-3-2-7-17(19)23-21(25)20-9-5-11-26(20)14-16-12-18(24-27-16)15-6-4-10-22-13-15/h2-4,6-8,10,12-13,20H,5,9,11,14H2,1H3/t20-/m0/s1
InChIKeyIHQZPDXBIHNJHD-FQEVSTJZSA-N
MW359.43 g/mol
LogP3.96
Rot. Bonds4

About 5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole

5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole (PubChem CID 124752027) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
PubChem CID124752027
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
SMILESCn1c([C@@H]2CCCN2Cc2cc(-c3cccnc3)no2)nc2ccccc21
InChIInChI=1S/C21H21N5O/c1-25-19-8-3-2-7-17(19)23-21(25)20-9-5-11-26(20)14-16-12-18(24-27-16)15-6-4-10-22-13-15/h2-4,6-8,10,12-13,20H,5,9,11,14H2,1H3/t20-/m0/s1
InChIKeyIHQZPDXBIHNJHD-FQEVSTJZSA-N
XLogP3.96
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,2-oxazole
CID 99959800
1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole
CID 167934115
5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
CID 91838613
1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 95723533
3-phenyl-5-[[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 95610205
1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 97013821
5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 99929165
1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole
CID 124943222
5-propan-2-yl-3-[(2R)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 124751031
[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 96579442
1-[(2R)-2-[(2S)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95305012
3-(cyclopropylmethyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949720

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
The IUPAC name of 5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole (CID 124752027) is 5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for 5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for 5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole is Cn1c([C@@H]2CCCN2Cc2cc(-c3cccnc3)no2)nc2ccccc21.
What is the InChIKey of 5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
The InChIKey is IHQZPDXBIHNJHD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21N5O/c1-25-19-8-3-2-7-17(19)23-21(25)20-9-5-11-26(20)14-16-12-18(24-27-16)15-6-4-10-22-13-15/h2-4,6-8,10,12-13,20H,5,9,11,14H2,1H3/t20-/m0/s1.
What are the key properties of 5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole has a molecular weight of 359.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 124752027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).