N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

C14H17ClN2O — CID 60682858

IUPACN-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN2O/c1-14(2,3)16-8-12-9-18-13(17-12)10-4-6-11(15)7-5-10/h4-7,9,16H,8H2,1-3H3
InChIKeyVDZHJIFETVZSTA-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.88
Rot. Bonds3

About N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 60682858) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID60682858
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN2O/c1-14(2,3)16-8-12-9-18-13(17-12)10-4-6-11(15)7-5-10/h4-7,9,16H,8H2,1-3H3
InChIKeyVDZHJIFETVZSTA-UHFFFAOYSA-N
XLogP3.88
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-bromo-3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 81307864
N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65288202
N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 81488835
(2S)-2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylamino]propanoic acid
CID 83193093
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine
CID 66229491
3-[4-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]benzonitrile
CID 65287867
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
CID 46220080
2-methyl-N-[[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288540
N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65287912
1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 112812779
N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-2,2-dimethylpropan-1-amine
CID 56669352
N-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62745885

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (CID 60682858) is N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1coc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VDZHJIFETVZSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-14(2,3)16-8-12-9-18-13(17-12)10-4-6-11(15)7-5-10/h4-7,9,16H,8H2,1-3H3.
What are the key properties of N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 264.76 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 60682858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).