1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide

C22H28ClN3O4 — CID 77437927

IUPAC1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide
SMILESCC(C)(COC1CCCCO1)c1cc(NC(=O)C2CCN2c2ccc(Cl)cc2)on1
InChIInChI=1S/C22H28ClN3O4/c1-22(2,14-29-20-5-3-4-12-28-20)18-13-19(30-25-18)24-21(27)17-10-11-26(17)16-8-6-15(23)7-9-16/h6-9,13,17,20H,3-5,10-12,14H2,1-2H3,(H,24,27)
InChIKeyXTXPRRCOVCIDMD-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.37
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide

1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide (PubChem CID 77437927) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide
PubChem CID77437927
Molecular FormulaC22H28ClN3O4
Molecular Weight433.94 g/mol
Exact Mass433.18
IUPAC Name1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide
SMILESCC(C)(COC1CCCCO1)c1cc(NC(=O)C2CCN2c2ccc(Cl)cc2)on1
InChIInChI=1S/C22H28ClN3O4/c1-22(2,14-29-20-5-3-4-12-28-20)18-13-19(30-25-18)24-21(27)17-10-11-26(17)16-8-6-15(23)7-9-16/h6-9,13,17,20H,3-5,10-12,14H2,1-2H3,(H,24,27)
InChIKeyXTXPRRCOVCIDMD-UHFFFAOYSA-N
XLogP4.37
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide (CID 77437927) is 1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide is CC(C)(COC1CCCCO1)c1cc(NC(=O)C2CCN2c2ccc(Cl)cc2)on1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide?
The InChIKey is XTXPRRCOVCIDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O4/c1-22(2,14-29-20-5-3-4-12-28-20)18-13-19(30-25-18)24-21(27)17-10-11-26(17)16-8-6-15(23)7-9-16/h6-9,13,17,20H,3-5,10-12,14H2,1-2H3,(H,24,27).
What are the key properties of 1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide?
1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide has a molecular weight of 433.94 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide is sourced from PubChem (CID 77437927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).