N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C19H23N3O5 — CID 91763682

IUPACN-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)on1
InChIInChI=1S/C19H23N3O5/c1-11(2)15-9-16(27-22-15)19(24)21-14-7-8-25-10-17(14)26-13-5-3-12(4-6-13)18(20)23/h3-6,9,11,14,17H,7-8,10H2,1-2H3,(H2,20,23)(H,21,24)/t14-,17-/m1/s1
InChIKeyJJBNUDSRTPDQIF-RHSMWYFYSA-N
MW373.41 g/mol
LogP1.86
Rot. Bonds6

About N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 91763682) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID91763682
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)on1
InChIInChI=1S/C19H23N3O5/c1-11(2)15-9-16(27-22-15)19(24)21-14-7-8-25-10-17(14)26-13-5-3-12(4-6-13)18(20)23/h3-6,9,11,14,17H,7-8,10H2,1-2H3,(H2,20,23)(H,21,24)/t14-,17-/m1/s1
InChIKeyJJBNUDSRTPDQIF-RHSMWYFYSA-N
XLogP1.86
TPSA116.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide
CID 91770875
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide
CID 91788390
N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 91783225
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 91789429
N'-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-N-methylbutanediamide
CID 91780513
4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide
CID 91771131
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-1-ethylpyrazole-4-carboxamide
CID 91786321
4-[(3S,4R)-4-(3-methylsulfanylpropanoylamino)oxan-3-yl]oxybenzamide
CID 91797995
4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide
CID 91780929
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]morpholine-4-carboxamide
CID 91785022
N-(oxan-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 70727741
4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide
CID 91770642

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 91763682) is N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(N)=O)cc2)on1.
What is the InChIKey of N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is JJBNUDSRTPDQIF-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-11(2)15-9-16(27-22-15)19(24)21-14-7-8-25-10-17(14)26-13-5-3-12(4-6-13)18(20)23/h3-6,9,11,14,17H,7-8,10H2,1-2H3,(H2,20,23)(H,21,24)/t14-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 91763682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).