4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine

C13H15ClN2O2 — CID 66246475

IUPAC4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine
SMILESCCNC1COCC1c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C13H15ClN2O2/c1-2-15-11-7-17-6-9(11)13-16-10-5-8(14)3-4-12(10)18-13/h3-5,9,11,15H,2,6-7H2,1H3
InChIKeyUJFISJWHPAANMO-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.57
Rot. Bonds3

About 4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine

4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine (PubChem CID 66246475) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine.

Molecular Properties

Compound Name4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine
PubChem CID66246475
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine
SMILESCCNC1COCC1c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C13H15ClN2O2/c1-2-15-11-7-17-6-9(11)13-16-10-5-8(14)3-4-12(10)18-13/h3-5,9,11,15H,2,6-7H2,1H3
InChIKeyUJFISJWHPAANMO-UHFFFAOYSA-N
XLogP2.57
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-chloro-1,3-benzoxazol-2-yl)-N-methyloxolan-3-amine
CID 81433126
4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine
CID 115472457
4-(5-chloro-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine
CID 66253450
4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine
CID 115472367
5-chloro-2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
CID 75615042
2-(5-chloro-1,3-benzoxazol-2-yl)-N-ethylpropan-2-amine
CID 62818523
5-chloro-2-(3-methylpyrrolidin-2-yl)-1,3-benzoxazole
CID 102781238
4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine
CID 102697022
5-chloro-2-methyl-1,3-benzoxazole
CID 29510
5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole
CID 63032538
N-ethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66245091
4-(1-tert-butylbenzimidazol-2-yl)-N-ethyloxolan-3-amine
CID 66248043

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine?
The IUPAC name of 4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine (CID 66246475) is 4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine.
What is the SMILES notation for 4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine?
The canonical SMILES for 4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine is CCNC1COCC1c1nc2cc(Cl)ccc2o1.
What is the InChIKey of 4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine?
The InChIKey is UJFISJWHPAANMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-2-15-11-7-17-6-9(11)13-16-10-5-8(14)3-4-12(10)18-13/h3-5,9,11,15H,2,6-7H2,1H3.
What are the key properties of 4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine?
4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine has a molecular weight of 266.73 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine is sourced from PubChem (CID 66246475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).