2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride

C19H26ClN3O2 — CID 120916052

IUPAC2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride
SMILESCl.c1cc2oc(C3CC3)nc2cc1NC1CCCC1C1COCCN1
InChIInChI=1S/C19H25N3O2.ClH/c1-2-14(17-11-23-9-8-20-17)15(3-1)21-13-6-7-18-16(10-13)22-19(24-18)12-4-5-12;/h6-7,10,12,14-15,17,20-21H,1-5,8-9,11H2;1H
InChIKeyOQNCZNOWCDPTPR-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.70
Rot. Bonds4

About 2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride

2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride (PubChem CID 120916052) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride
PubChem CID120916052
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride
SMILESCl.c1cc2oc(C3CC3)nc2cc1NC1CCCC1C1COCCN1
InChIInChI=1S/C19H25N3O2.ClH/c1-2-14(17-11-23-9-8-20-17)15(3-1)21-13-6-7-18-16(10-13)22-19(24-18)12-4-5-12;/h6-7,10,12,14-15,17,20-21H,1-5,8-9,11H2;1H
InChIKeyOQNCZNOWCDPTPR-UHFFFAOYSA-N
XLogP3.70
TPSA59.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride?
The IUPAC name of 2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride (CID 120916052) is 2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride?
The canonical SMILES for 2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride is Cl.c1cc2oc(C3CC3)nc2cc1NC1CCCC1C1COCCN1.
What is the InChIKey of 2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride?
The InChIKey is OQNCZNOWCDPTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.ClH/c1-2-14(17-11-23-9-8-20-17)15(3-1)21-13-6-7-18-16(10-13)22-19(24-18)12-4-5-12;/h6-7,10,12,14-15,17,20-21H,1-5,8-9,11H2;1H.
What are the key properties of 2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride?
2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride is sourced from PubChem (CID 120916052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).