(2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

C19H23FN4O3 — CID 171358936

IUPAC(2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(-c2cccc(F)c2)on1)N1CCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C19H23FN4O3/c20-15-4-1-3-14(11-15)17-12-18(22-27-17)21-19(25)24-6-2-5-16(24)13-23-7-9-26-10-8-23/h1,3-4,11-12,16H,2,5-10,13H2,(H,21,22,25)/t16-/m1/s1
InChIKeyJUDZXVSSECVLHW-MRXNPFEDSA-N
MW374.42 g/mol
LogP2.81
Rot. Bonds4

About (2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

(2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 171358936) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is (2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID171358936
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name(2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(-c2cccc(F)c2)on1)N1CCC[C@@H]1CN1CCOCC1
InChIInChI=1S/C19H23FN4O3/c20-15-4-1-3-14(11-15)17-12-18(22-27-17)21-19(25)24-6-2-5-16(24)13-23-7-9-26-10-8-23/h1,3-4,11-12,16H,2,5-10,13H2,(H,21,22,25)/t16-/m1/s1
InChIKeyJUDZXVSSECVLHW-MRXNPFEDSA-N
XLogP2.81
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (CID 171358936) is (2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is O=C(Nc1cc(-c2cccc(F)c2)on1)N1CCC[C@@H]1CN1CCOCC1.
What is the InChIKey of (2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is JUDZXVSSECVLHW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23FN4O3/c20-15-4-1-3-14(11-15)17-12-18(22-27-17)21-19(25)24-6-2-5-16(24)13-23-7-9-26-10-8-23/h1,3-4,11-12,16H,2,5-10,13H2,(H,21,22,25)/t16-/m1/s1.
What are the key properties of (2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
(2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(3-fluorophenyl)-1,2-oxazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 171358936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).