N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide

C18H23N3O4 — CID 91776738

IUPACN-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide
SMILESN#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CCN2CCCO2)cc1
InChIInChI=1S/C18H23N3O4/c19-12-14-2-4-15(5-3-14)25-17-7-11-23-13-16(17)20-18(22)6-9-21-8-1-10-24-21/h2-5,16-17H,1,6-11,13H2,(H,20,22)/t16-,17-/m1/s1
InChIKeyVUKJIYUFAUAJPS-IAGOWNOFSA-N
MW345.40 g/mol
LogP1.24
Rot. Bonds6

About N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide

N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide (PubChem CID 91776738) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide
PubChem CID91776738
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide
SMILESN#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CCN2CCCO2)cc1
InChIInChI=1S/C18H23N3O4/c19-12-14-2-4-15(5-3-14)25-17-7-11-23-13-16(17)20-18(22)6-9-21-8-1-10-24-21/h2-5,16-17H,1,6-11,13H2,(H,20,22)/t16-,17-/m1/s1
InChIKeyVUKJIYUFAUAJPS-IAGOWNOFSA-N
XLogP1.24
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 91797996
N-[(3S,4S)-4-(4-cyanophenoxy)oxan-3-yl]-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 164642550
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91784559
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91777220
N-[(3S,4S)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]-3-(oxazinan-2-yl)propanamide
CID 133267645
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 91772381
3-(1,2-oxazolidin-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91772511
3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide
CID 91768615
3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91795731
3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91787905
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
CID 91760636
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 91779153

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide?
The IUPAC name of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide (CID 91776738) is N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide.
What is the SMILES notation for N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide?
The canonical SMILES for N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide is N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)CCN2CCCO2)cc1.
What is the InChIKey of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide?
The InChIKey is VUKJIYUFAUAJPS-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H23N3O4/c19-12-14-2-4-15(5-3-14)25-17-7-11-23-13-16(17)20-18(22)6-9-21-8-1-10-24-21/h2-5,16-17H,1,6-11,13H2,(H,20,22)/t16-,17-/m1/s1.
What are the key properties of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide?
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide has a molecular weight of 345.40 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide is sourced from PubChem (CID 91776738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).