2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine

C12H13ClN2O — CID 115084128

IUPAC2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine
SMILESNCCc1coc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13ClN2O/c13-10-3-1-9(2-4-10)7-12-15-11(5-6-14)8-16-12/h1-4,8H,5-7,14H2
InChIKeyWKOHFDPLAKVFCJ-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.42
Rot. Bonds4

About 2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine

2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine (PubChem CID 115084128) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine
PubChem CID115084128
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine
SMILESNCCc1coc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13ClN2O/c13-10-3-1-9(2-4-10)7-12-15-11(5-6-14)8-16-12/h1-4,8H,5-7,14H2
InChIKeyWKOHFDPLAKVFCJ-UHFFFAOYSA-N
XLogP2.42
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115084149
3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115084153
2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine
CID 84762826
2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol
CID 115084055
2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115083960
[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine
CID 115024489
3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084172
2-[2-(5-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 82477362
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetonitrile;2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 159604704
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084120
4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 69207076
3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084171

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine (CID 115084128) is 2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine is NCCc1coc(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine?
The InChIKey is WKOHFDPLAKVFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-10-3-1-9(2-4-10)7-12-15-11(5-6-14)8-16-12/h1-4,8H,5-7,14H2.
What are the key properties of 2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine?
2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine has a molecular weight of 236.70 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 115084128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).