[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone

C18H25N5O3 — CID 110203043

IUPAC[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone
SMILESCCn1ncc(C(=O)N2C[C@@H](COC)[C@H](c3nc(C4CC4)no3)C2)c1C
InChIInChI=1S/C18H25N5O3/c1-4-23-11(2)14(7-19-23)18(24)22-8-13(10-25-3)15(9-22)17-20-16(21-26-17)12-5-6-12/h7,12-13,15H,4-6,8-10H2,1-3H3/t13-,15+/m0/s1
InChIKeyUVOOLUUWISXXFI-DZGCQCFKSA-N
MW359.43 g/mol
LogP1.97
Rot. Bonds6

About [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone

[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone (PubChem CID 110203043) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone
PubChem CID110203043
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone
SMILESCCn1ncc(C(=O)N2C[C@@H](COC)[C@H](c3nc(C4CC4)no3)C2)c1C
InChIInChI=1S/C18H25N5O3/c1-4-23-11(2)14(7-19-23)18(24)22-8-13(10-25-3)15(9-22)17-20-16(21-26-17)12-5-6-12/h7,12-13,15H,4-6,8-10H2,1-3H3/t13-,15+/m0/s1
InChIKeyUVOOLUUWISXXFI-DZGCQCFKSA-N
XLogP1.97
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone?
The IUPAC name of [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone (CID 110203043) is [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone is CCn1ncc(C(=O)N2C[C@@H](COC)[C@H](c3nc(C4CC4)no3)C2)c1C.
What is the InChIKey of [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone?
The InChIKey is UVOOLUUWISXXFI-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-4-23-11(2)14(7-19-23)18(24)22-8-13(10-25-3)15(9-22)17-20-16(21-26-17)12-5-6-12/h7,12-13,15H,4-6,8-10H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone?
[(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone has a molecular weight of 359.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-(1-ethyl-5-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 110203043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).