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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Related Compounds

(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide
CID 67953732
N-[3-[2-methyl-1-[(2S)-oxan-2-yl]oxypropan-2-yl]-1,2-oxazol-5-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 91058439
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 71244440
1-[(2S)-1-(4-fluorophenyl)azetidin-2-yl]-2-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]ethanone
CID 147106092
(2S,4R)-1-(4-chlorophenyl)-4-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]pyrrolidine-2-carboxamide
CID 67953409
2-[4-(methanesulfinamido)piperidin-1-yl]-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 70820859
(2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 67953379
2-(3-fluoropyrrolidin-1-yl)sulfanyl-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 143964784
(2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
CID 46843430
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 59253303
(2S,4R)-1-(4-chlorophenyl)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 67953455
2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]-2-[methyl-[2-(oxolan-3-yl)acetyl]amino]propanamide
CID 77477724

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).