(4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone

C19H20N4O2 — CID 139001864

IUPAC(4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1c(C2CCCN2C(=O)c2ocnc2C2CC2)nc2ccccc21
InChIInChI=1S/C19H20N4O2/c1-22-14-6-3-2-5-13(14)21-18(22)15-7-4-10-23(15)19(24)17-16(12-8-9-12)20-11-25-17/h2-3,5-6,11-12,15H,4,7-10H2,1H3
InChIKeyNTPKCMGELIRWPR-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.42
Rot. Bonds3

About (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone

(4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 139001864) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID139001864
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name(4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1c(C2CCCN2C(=O)c2ocnc2C2CC2)nc2ccccc21
InChIInChI=1S/C19H20N4O2/c1-22-14-6-3-2-5-13(14)21-18(22)15-7-4-10-23(15)19(24)17-16(12-8-9-12)20-11-25-17/h2-3,5-6,11-12,15H,4,7-10H2,1H3
InChIKeyNTPKCMGELIRWPR-UHFFFAOYSA-N
XLogP3.42
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91822619
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
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[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 96579442
4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 75490065
[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 126445492
[(1S,2R)-2-ethoxycyclopropyl]-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124808785
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
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CID 94571162
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571163
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 126428480
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 52536369
4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone (CID 139001864) is (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone is Cn1c(C2CCCN2C(=O)c2ocnc2C2CC2)nc2ccccc21.
What is the InChIKey of (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NTPKCMGELIRWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22-14-6-3-2-5-13(14)21-18(22)15-7-4-10-23(15)19(24)17-16(12-8-9-12)20-11-25-17/h2-3,5-6,11-12,15H,4,7-10H2,1H3.
What are the key properties of (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone?
(4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 336.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 139001864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).