2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid

C19H21ClN2O5 — CID 119215346

IUPAC2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CCOCC1
InChIInChI=1S/C19H21ClN2O5/c20-14-3-1-13(2-4-14)15-12-21-17(27-15)6-5-16(23)22-19(11-18(24)25)7-9-26-10-8-19/h1-4,12H,5-11H2,(H,22,23)(H,24,25)
InChIKeyKILOBXKCHYEKPX-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.07
Rot. Bonds7

About 2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid

2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid (PubChem CID 119215346) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid
PubChem CID119215346
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC Name2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CCOCC1
InChIInChI=1S/C19H21ClN2O5/c20-14-3-1-13(2-4-14)15-12-21-17(27-15)6-5-16(23)22-19(11-18(24)25)7-9-26-10-8-19/h1-4,12H,5-11H2,(H,22,23)(H,24,25)
InChIKeyKILOBXKCHYEKPX-UHFFFAOYSA-N
XLogP3.07
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid 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

2-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546374
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
N-[(4-hydroxyoxan-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 111486053
cis-(1S,3R)-3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]cyclopentane-1-carboxylic acid
CID 120675943
N-(3-chloro-2-morpholin-4-ylphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41270984
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 16593798
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32587581
2-[4-[3-(4-ethylphenyl)propanoylamino]oxan-4-yl]acetic acid
CID 119215227
2-[4-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]oxan-4-yl]acetic acid
CID 119215122
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;dihydrochloride
CID 120945476
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide
CID 55510199

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid (CID 119215346) is 2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid is O=C(O)CC1(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CCOCC1.
What is the InChIKey of 2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid?
The InChIKey is KILOBXKCHYEKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c20-14-3-1-13(2-4-14)15-12-21-17(27-15)6-5-16(23)22-19(11-18(24)25)7-9-26-10-8-19/h1-4,12H,5-11H2,(H,22,23)(H,24,25).
What are the key properties of 2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid?
2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid has a molecular weight of 392.84 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119215346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).