[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C18H17ClN4O2 — CID 99816463

IUPAC[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCn1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)cn1
InChIInChI=1S/C18H17ClN4O2/c1-22-11-13(10-20-22)16-3-2-8-23(16)18(24)15-9-17(25-21-15)12-4-6-14(19)7-5-12/h4-7,9-11,16H,2-3,8H2,1H3/t16-/m1/s1
InChIKeyWHAHFWKQMJZDFX-MRXNPFEDSA-N
MW356.81 g/mol
LogP3.71
Rot. Bonds3

About [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 99816463) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID99816463
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCn1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)cn1
InChIInChI=1S/C18H17ClN4O2/c1-22-11-13(10-20-22)16-3-2-8-23(16)18(24)15-9-17(25-21-15)12-4-6-14(19)7-5-12/h4-7,9-11,16H,2-3,8H2,1H3/t16-/m1/s1
InChIKeyWHAHFWKQMJZDFX-MRXNPFEDSA-N
XLogP3.71
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 126774607
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92893500
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 42953217
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612892
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51612893
(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 86888139
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
(5-methyl-1H-pyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824930
(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 154803735
[2-(aminomethyl)piperidin-1-yl]-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119468564
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 51587969

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 99816463) is [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cn1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(Cl)cc3)on2)cn1.
What is the InChIKey of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is WHAHFWKQMJZDFX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-22-11-13(10-20-22)16-3-2-8-23(16)18(24)15-9-17(25-21-15)12-4-6-14(19)7-5-12/h4-7,9-11,16H,2-3,8H2,1H3/t16-/m1/s1.
What are the key properties of [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 356.81 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 99816463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).