3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one

C14H17ClN4O2 — CID 110104453

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cnc(C2CCCN2C(=O)CCc2cc(Cl)no2)[nH]1
InChIInChI=1S/C14H17ClN4O2/c1-9-8-16-14(17-9)11-3-2-6-19(11)13(20)5-4-10-7-12(15)18-21-10/h7-8,11H,2-6H2,1H3,(H,16,17)
InChIKeySQZLSDRJDCGRHU-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.66
Rot. Bonds4

About 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one

3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 110104453) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID110104453
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cnc(C2CCCN2C(=O)CCc2cc(Cl)no2)[nH]1
InChIInChI=1S/C14H17ClN4O2/c1-9-8-16-14(17-9)11-3-2-6-19(11)13(20)5-4-10-7-12(15)18-21-10/h7-8,11H,2-6H2,1H3,(H,16,17)
InChIKeySQZLSDRJDCGRHU-UHFFFAOYSA-N
XLogP2.66
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid
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5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
CID 45250395
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide
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(3-ethyl-1,2-oxazol-5-yl)-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
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2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
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(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
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2-(4-methoxyphenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
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3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 166316412
2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136734978

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 110104453) is 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one is Cc1cnc(C2CCCN2C(=O)CCc2cc(Cl)no2)[nH]1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is SQZLSDRJDCGRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-9-8-16-14(17-9)11-3-2-6-19(11)13(20)5-4-10-7-12(15)18-21-10/h7-8,11H,2-6H2,1H3,(H,16,17).
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 308.77 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110104453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).