N-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide

C17H19ClN2O4 — CID 166310554

IUPACN-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC(c2ccc(Cl)cc2)C1)C1=NOC(C2(O)COC2)C1
InChIInChI=1S/C17H19ClN2O4/c18-12-3-1-10(2-4-12)11-5-13(6-11)19-16(21)14-7-15(24-20-14)17(22)8-23-9-17/h1-4,11,13,15,22H,5-9H2,(H,19,21)
InChIKeyHKQWAOIFHWFSJI-UHFFFAOYSA-N
MW350.80 g/mol
LogP1.61
Rot. Bonds4

About N-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 166310554) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID166310554
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC NameN-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC(c2ccc(Cl)cc2)C1)C1=NOC(C2(O)COC2)C1
InChIInChI=1S/C17H19ClN2O4/c18-12-3-1-10(2-4-12)11-5-13(6-11)19-16(21)14-7-15(24-20-14)17(22)8-23-9-17/h1-4,11,13,15,22H,5-9H2,(H,19,21)
InChIKeyHKQWAOIFHWFSJI-UHFFFAOYSA-N
XLogP1.61
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 166310554) is N-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(NC1CC(c2ccc(Cl)cc2)C1)C1=NOC(C2(O)COC2)C1.
What is the InChIKey of N-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is HKQWAOIFHWFSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c18-12-3-1-10(2-4-12)11-5-13(6-11)19-16(21)14-7-15(24-20-14)17(22)8-23-9-17/h1-4,11,13,15,22H,5-9H2,(H,19,21).
What are the key properties of N-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 350.80 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)cyclobutyl]-5-(3-hydroxyoxetan-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166310554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).