[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

C19H22N4O2 — CID 96579442

IUPAC[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)no1
InChIInChI=1S/C19H22N4O2/c1-3-7-13-12-15(21-25-13)19(24)23-11-6-10-17(23)18-20-14-8-4-5-9-16(14)22(18)2/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3/t17-/m0/s1
InChIKeyYQPAQUYAHDNNJC-KRWDZBQOSA-N
MW338.41 g/mol
LogP3.49
Rot. Bonds4

About [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (PubChem CID 96579442) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
PubChem CID96579442
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)no1
InChIInChI=1S/C19H22N4O2/c1-3-7-13-12-15(21-25-13)19(24)23-11-6-10-17(23)18-20-14-8-4-5-9-16(14)22(18)2/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3/t17-/m0/s1
InChIKeyYQPAQUYAHDNNJC-KRWDZBQOSA-N
XLogP3.49
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 126445492
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46266463
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 94640308
furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91822619
(4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 139001864
4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 75490065
[(1S,2R)-2-ethoxycyclopropyl]-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124808785
[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 92719861
[2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 110260421
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92893503
(3R)-3-(1-methylbenzimidazol-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 126438580

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (CID 96579442) is [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is CCCc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)no1.
What is the InChIKey of [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
The InChIKey is YQPAQUYAHDNNJC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-7-13-12-15(21-25-13)19(24)23-11-6-10-17(23)18-20-14-8-4-5-9-16(14)22(18)2/h4-5,8-9,12,17H,3,6-7,10-11H2,1-2H3/t17-/m0/s1.
What are the key properties of [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?
[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone has a molecular weight of 338.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 96579442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).