N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride

C16H26ClN3O3 — CID 155819665

IUPACN-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2coc(C3CCCCC3)n2)CCOCC1
InChIInChI=1S/C16H25N3O3.ClH/c17-11-16(6-8-21-9-7-16)19-14(20)13-10-22-15(18-13)12-4-2-1-3-5-12;/h10,12H,1-9,11,17H2,(H,19,20);1H
InChIKeyKSBOEUPWPIKABS-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.38
Rot. Bonds4

About N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride

N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 155819665) has the molecular formula C16H26ClN3O3 and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID155819665
Molecular FormulaC16H26ClN3O3
Molecular Weight343.86 g/mol
Exact Mass343.17
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2coc(C3CCCCC3)n2)CCOCC1
InChIInChI=1S/C16H25N3O3.ClH/c17-11-16(6-8-21-9-7-16)19-14(20)13-10-22-15(18-13)12-4-2-1-3-5-12;/h10,12H,1-9,11,17H2,(H,19,20);1H
InChIKeyKSBOEUPWPIKABS-UHFFFAOYSA-N
XLogP2.38
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride (CID 155819665) is N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride is Cl.NCC1(NC(=O)c2coc(C3CCCCC3)n2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is KSBOEUPWPIKABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3.ClH/c17-11-16(6-8-21-9-7-16)19-14(20)13-10-22-15(18-13)12-4-2-1-3-5-12;/h10,12H,1-9,11,17H2,(H,19,20);1H.
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride?
N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-2-cyclohexyl-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 155819665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).