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

C16H21ClN2O — CID 56665438

IUPACN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCc1coc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H21ClN2O/c1-11(2)8-12(3)18-9-13-10-20-16(19-13)14-6-4-5-7-15(14)17/h4-7,10-12,18H,8-9H2,1-3H3
InChIKeyYCHFHHZPTUEDNK-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.52
Rot. Bonds6

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

N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-4-methylpentan-2-amine (PubChem CID 56665438) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-4-methylpentan-2-amine
PubChem CID56665438
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC NameN-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCc1coc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H21ClN2O/c1-11(2)8-12(3)18-9-13-10-20-16(19-13)14-6-4-5-7-15(14)17/h4-7,10-12,18H,8-9H2,1-3H3
InChIKeyYCHFHHZPTUEDNK-UHFFFAOYSA-N
XLogP4.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenyl-4-oxazolecarboxamide
CID 604678
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(dipropylamino)ethyl]piperidine-4-carboxamide
CID 3240581
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3235876
2-(((2-(2-Chlorophenyl)-5-methyloxazol-4-yl)methyl)thio)-N-cyclopropylacetamide
CID 3239474
2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-cyclopentylacetamide
CID 6622102
N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10126996
2-(4-chlorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10151335
N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173261
1-{[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-n-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 20859819
N-[[4-[4-(3-chloropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415562
2-(3-chlorophenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415642
N-[[4-[4-(4-chloropiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 44415682

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-4-methylpentan-2-amine?
The IUPAC name of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-4-methylpentan-2-amine (CID 56665438) is N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-4-methylpentan-2-amine is CC(C)CC(C)NCc1coc(-c2ccccc2Cl)n1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-4-methylpentan-2-amine?
The InChIKey is YCHFHHZPTUEDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-11(2)8-12(3)18-9-13-10-20-16(19-13)14-6-4-5-7-15(14)17/h4-7,10-12,18H,8-9H2,1-3H3.
What are the key properties of N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-4-methylpentan-2-amine?
N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-4-methylpentan-2-amine has a molecular weight of 292.81 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 56665438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).