4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride

C17H22ClN3O3 — CID 120924638

IUPAC4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CCOCC1
InChIInChI=1S/C17H21N3O3.ClH/c18-10-17(5-7-22-8-6-17)16(21)19-12-3-4-14-13(9-12)20-15(23-14)11-1-2-11;/h3-4,9,11H,1-2,5-8,10,18H2,(H,19,21);1H
InChIKeyXCWMIOOFQFGGQU-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.82
Rot. Bonds4

About 4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride (PubChem CID 120924638) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride
PubChem CID120924638
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CCOCC1
InChIInChI=1S/C17H21N3O3.ClH/c18-10-17(5-7-22-8-6-17)16(21)19-12-3-4-14-13(9-12)20-15(23-14)11-1-2-11;/h3-4,9,11H,1-2,5-8,10,18H2,(H,19,21);1H
InChIKeyXCWMIOOFQFGGQU-UHFFFAOYSA-N
XLogP2.82
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]oxane-4-carboxamide
CID 120927737
4-(aminomethyl)-N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]oxane-4-carboxamide
CID 120925225
1-(aminomethyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119725962
4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]oxane-4-carboxamide;hydrochloride
CID 120932450
1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119342258
5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide
CID 104683893
4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide
CID 120940687
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103577
4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride
CID 120925687
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
4-(aminomethyl)-N-[3-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922415
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride (CID 120924638) is 4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride?
The InChIKey is XCWMIOOFQFGGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.ClH/c18-10-17(5-7-22-8-6-17)16(21)19-12-3-4-14-13(9-12)20-15(23-14)11-1-2-11;/h3-4,9,11H,1-2,5-8,10,18H2,(H,19,21);1H.
What are the key properties of 4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120924638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).