3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide

C18H22N4O3 — CID 135105344

IUPAC3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
SMILESO=C(N[C@H]1CCNC1)c1c(N2CCOCC2)noc1-c1ccccc1
InChIInChI=1S/C18H22N4O3/c23-18(20-14-6-7-19-12-14)15-16(13-4-2-1-3-5-13)25-21-17(15)22-8-10-24-11-9-22/h1-5,14,19H,6-12H2,(H,20,23)/t14-/m0/s1
InChIKeyFHUICPYHPGTENW-AWEZNQCLSA-N
MW342.40 g/mol
LogP1.27
Rot. Bonds4

About 3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide

3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide (PubChem CID 135105344) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
PubChem CID135105344
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
SMILESO=C(N[C@H]1CCNC1)c1c(N2CCOCC2)noc1-c1ccccc1
InChIInChI=1S/C18H22N4O3/c23-18(20-14-6-7-19-12-14)15-16(13-4-2-1-3-5-13)25-21-17(15)22-8-10-24-11-9-22/h1-5,14,19H,6-12H2,(H,20,23)/t14-/m0/s1
InChIKeyFHUICPYHPGTENW-AWEZNQCLSA-N
XLogP1.27
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide (CID 135105344) is 3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide is O=C(N[C@H]1CCNC1)c1c(N2CCOCC2)noc1-c1ccccc1.
What is the InChIKey of 3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is FHUICPYHPGTENW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-18(20-14-6-7-19-12-14)15-16(13-4-2-1-3-5-13)25-21-17(15)22-8-10-24-11-9-22/h1-5,14,19H,6-12H2,(H,20,23)/t14-/m0/s1.
What are the key properties of 3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide?
3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-5-phenyl-N-[(3S)-pyrrolidin-3-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135105344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).