2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol

C14H17ClN2O2 — CID 115772256

IUPAC2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1coc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C14H17ClN2O2/c1-10(8-18)17(2)7-13-9-19-14(16-13)11-4-3-5-12(15)6-11/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyBQTNSZNLDVAJKG-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.81
Rot. Bonds5

About 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol

2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol (PubChem CID 115772256) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol
PubChem CID115772256
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol
SMILESCC(CO)N(C)Cc1coc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C14H17ClN2O2/c1-10(8-18)17(2)7-13-9-19-14(16-13)11-4-3-5-12(15)6-11/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyBQTNSZNLDVAJKG-UHFFFAOYSA-N
XLogP2.81
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115084331
3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115084368
1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine
CID 119920593
4-[[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]methyl]benzonitrile
CID 55739614
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388558
2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-prop-2-ynylamino]acetic acid
CID 79270207
N-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288193
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine
CID 66230660
2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 43348646
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine
CID 119923250
N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 62687553
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline
CID 61035750

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol?
The IUPAC name of 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol (CID 115772256) is 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol is CC(CO)N(C)Cc1coc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol?
The InChIKey is BQTNSZNLDVAJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10(8-18)17(2)7-13-9-19-14(16-13)11-4-3-5-12(15)6-11/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol?
2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol has a molecular weight of 280.75 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol is sourced from PubChem (CID 115772256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).