2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine

C12H15ClN2O — CID 62818523

IUPAC2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)(C)c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C12H15ClN2O/c1-4-14-12(2,3)11-15-9-7-8(13)5-6-10(9)16-11/h5-7,14H,4H2,1-3H3
InChIKeyXACVXIQHMMRDSI-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.33
Rot. Bonds3

About 2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine

2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine (PubChem CID 62818523) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine
PubChem CID62818523
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)(C)c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C12H15ClN2O/c1-4-14-12(2,3)11-15-9-7-8(13)5-6-10(9)16-11/h5-7,14H,4H2,1-3H3
InChIKeyXACVXIQHMMRDSI-UHFFFAOYSA-N
XLogP3.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-1,3-benzoxazol-2-yl)propan-2-yl]-3-hydroxy-2,5-dimethylimidazole-4-carboxamide
CID 167985399
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole
CID 827452
2-butyl-5-chloro-1,3-benzoxazole
CID 3726019
N-[[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]ethanamine
CID 82357751
O-methyl 5-chloro-1,3-benzoxazole-2-carbothioate
CID 119089889
2-(2,4-dichlorophenyl)-N-ethyl-1,3-benzoxazol-5-amine
CID 91677608
2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-chloro-1,3-benzoxazole
CID 2493472
5-chloro-2-propan-2-ylsulfanyl-1,3-benzoxazole
CID 11310720
5-tert-butyl-2-(3-methylpentan-3-yl)-1,3-benzoxazole
CID 122642760
2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine
CID 65221798
5-chloro-2-(1-chloroethyl)-1,3-benzoxazole
CID 43115623

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine?
The IUPAC name of 2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine (CID 62818523) is 2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine is CCNC(C)(C)c1nc2cc(Cl)ccc2o1.
What is the InChIKey of 2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine?
The InChIKey is XACVXIQHMMRDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-4-14-12(2,3)11-15-9-7-8(13)5-6-10(9)16-11/h5-7,14H,4H2,1-3H3.
What are the key properties of 2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine?
2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine has a molecular weight of 238.72 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 62818523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).