N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide

C19H23N3O4 — CID 52514146

IUPACN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(C(=O)CCNC(=O)c2cc(-c3ccccc3)on2)C[C@H](C)O1
InChIInChI=1S/C19H23N3O4/c1-13-11-22(12-14(2)25-13)18(23)8-9-20-19(24)16-10-17(26-21-16)15-6-4-3-5-7-15/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,20,24)/t13-,14+
InChIKeyPYZCTXAAFFQDKE-OKILXGFUSA-N
MW357.41 g/mol
LogP2.10
Rot. Bonds5

About N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 52514146) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID52514146
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@@H]1CN(C(=O)CCNC(=O)c2cc(-c3ccccc3)on2)C[C@H](C)O1
InChIInChI=1S/C19H23N3O4/c1-13-11-22(12-14(2)25-13)18(23)8-9-20-19(24)16-10-17(26-21-16)15-6-4-3-5-7-15/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,20,24)/t13-,14+
InChIKeyPYZCTXAAFFQDKE-OKILXGFUSA-N
XLogP2.10
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 52514146) is N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide is C[C@@H]1CN(C(=O)CCNC(=O)c2cc(-c3ccccc3)on2)C[C@H](C)O1.
What is the InChIKey of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is PYZCTXAAFFQDKE-OKILXGFUSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-11-22(12-14(2)25-13)18(23)8-9-20-19(24)16-10-17(26-21-16)15-6-4-3-5-7-15/h3-7,10,13-14H,8-9,11-12H2,1-2H3,(H,20,24)/t13-,14+.
What are the key properties of N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 52514146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).