N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide

C19H19N3O4 — CID 91760636

IUPACN-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
SMILESN#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cc(C3CC3)no2)cc1
InChIInChI=1S/C19H19N3O4/c20-10-12-1-5-14(6-2-12)25-17-7-8-24-11-16(17)21-19(23)18-9-15(22-26-18)13-3-4-13/h1-2,5-6,9,13,16-17H,3-4,7-8,11H2,(H,21,23)/t16-,17-/m1/s1
InChIKeyYTDWCFMIHMFKAD-IAGOWNOFSA-N
MW353.38 g/mol
LogP2.39
Rot. Bonds5

About N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide

N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide (PubChem CID 91760636) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
PubChem CID91760636
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
SMILESN#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cc(C3CC3)no2)cc1
InChIInChI=1S/C19H19N3O4/c20-10-12-1-5-14(6-2-12)25-17-7-8-24-11-16(17)21-19(23)18-9-15(22-26-18)13-3-4-13/h1-2,5-6,9,13,16-17H,3-4,7-8,11H2,(H,21,23)/t16-,17-/m1/s1
InChIKeyYTDWCFMIHMFKAD-IAGOWNOFSA-N
XLogP2.39
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide
CID 91768615
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91777220
3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91763043
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91784559
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]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 91797996
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-(1,2-oxazolidin-2-yl)propanamide
CID 91776738
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 91772381
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 91778480
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91775509
3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide
CID 91798129
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 91763682

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide (CID 91760636) is N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide is N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2cc(C3CC3)no2)cc1.
What is the InChIKey of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
The InChIKey is YTDWCFMIHMFKAD-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H19N3O4/c20-10-12-1-5-14(6-2-12)25-17-7-8-24-11-16(17)21-19(23)18-9-15(22-26-18)13-3-4-13/h1-2,5-6,9,13,16-17H,3-4,7-8,11H2,(H,21,23)/t16-,17-/m1/s1.
What are the key properties of N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.39, 5 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-cyclopropyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91760636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).