1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

C20H29N5O2 — CID 127249257

IUPAC1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCc1ncc(CN2CCC(Cc3cc(C(C)C)no3)(C(=O)NC)C2)cn1
InChIInChI=1S/C20H29N5O2/c1-5-18-22-10-15(11-23-18)12-25-7-6-20(13-25,19(26)21-4)9-16-8-17(14(2)3)24-27-16/h8,10-11,14H,5-7,9,12-13H2,1-4H3,(H,21,26)
InChIKeyWWEHZBLQANXXAL-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.33
Rot. Bonds7

About 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide

1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 127249257) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID127249257
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCc1ncc(CN2CCC(Cc3cc(C(C)C)no3)(C(=O)NC)C2)cn1
InChIInChI=1S/C20H29N5O2/c1-5-18-22-10-15(11-23-18)12-25-7-6-20(13-25,19(26)21-4)9-16-8-17(14(2)3)24-27-16/h8,10-11,14H,5-7,9,12-13H2,1-4H3,(H,21,26)
InChIKeyWWEHZBLQANXXAL-UHFFFAOYSA-N
XLogP2.33
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide (CID 127249257) is 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is CCc1ncc(CN2CCC(Cc3cc(C(C)C)no3)(C(=O)NC)C2)cn1.
What is the InChIKey of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is WWEHZBLQANXXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-5-18-22-10-15(11-23-18)12-25-7-6-20(13-25,19(26)21-4)9-16-8-17(14(2)3)24-27-16/h8,10-11,14H,5-7,9,12-13H2,1-4H3,(H,21,26).
What are the key properties of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide?
1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 127249257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).