(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C17H24N4O2 — CID 95352842

IUPAC(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnn(C[C@@H]2CCCN2C(=O)c2c(C)noc2C(C)C)c1
InChIInChI=1S/C17H24N4O2/c1-11(2)16-15(13(4)19-23-16)17(22)21-7-5-6-14(21)10-20-9-12(3)8-18-20/h8-9,11,14H,5-7,10H2,1-4H3/t14-/m0/s1
InChIKeyDKOVGYOEPMSCBR-AWEZNQCLSA-N
MW316.41 g/mol
LogP2.92
Rot. Bonds4

About (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 95352842) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID95352842
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnn(C[C@@H]2CCCN2C(=O)c2c(C)noc2C(C)C)c1
InChIInChI=1S/C17H24N4O2/c1-11(2)16-15(13(4)19-23-16)17(22)21-7-5-6-14(21)10-20-9-12(3)8-18-20/h8-9,11,14H,5-7,10H2,1-4H3/t14-/m0/s1
InChIKeyDKOVGYOEPMSCBR-AWEZNQCLSA-N
XLogP2.92
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95350732
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779403
(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607677
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95605754
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 129370169
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56779357
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95604019
1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone
CID 95605673
[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110625802
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanone
CID 129448791
1-benzofuran-2-yl-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95351459
2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 95605633

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 95352842) is (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cnn(C[C@@H]2CCCN2C(=O)c2c(C)noc2C(C)C)c1.
What is the InChIKey of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is DKOVGYOEPMSCBR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11(2)16-15(13(4)19-23-16)17(22)21-7-5-6-14(21)10-20-9-12(3)8-18-20/h8-9,11,14H,5-7,10H2,1-4H3/t14-/m0/s1.
What are the key properties of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 316.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95352842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).