2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide

C15H17ClN2O3 — CID 109388558

IUPAC2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
SMILESCC(CO)N(C)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN2O3/c1-10(8-19)18(2)14(20)7-13-9-21-15(17-13)11-3-5-12(16)6-4-11/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyUBXMNJXJSSGOBJ-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.38
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide

2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide (PubChem CID 109388558) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
PubChem CID109388558
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
SMILESCC(CO)N(C)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN2O3/c1-10(8-19)18(2)14(20)7-13-9-21-15(17-13)11-3-5-12(16)6-4-11/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyUBXMNJXJSSGOBJ-UHFFFAOYSA-N
XLogP2.38
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid
CID 119206351
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-(2-methylpropyl)amino]acetic acid
CID 119193245
2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115765069
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide
CID 119444124
N-(3-aminobutyl)-2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide
CID 119499058
(2S)-2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylamino]propanoic acid
CID 83193093
3-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 84588911
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]amino]-3-methylpentanoic acid
CID 119212020
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]butanoic acid
CID 105352747
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 66104930
N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 62687553
2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol
CID 115772256

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide (CID 109388558) is 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide is CC(CO)N(C)C(=O)Cc1coc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
The InChIKey is UBXMNJXJSSGOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-10(8-19)18(2)14(20)7-13-9-21-15(17-13)11-3-5-12(16)6-4-11/h3-6,9-10,19H,7-8H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide?
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide has a molecular weight of 308.76 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 109388558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).