1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide

C16H21N3O3 — CID 119341847

IUPAC1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide
SMILESCOCc1nc2cc(NC(=O)C3(N)CCCCC3)ccc2o1
InChIInChI=1S/C16H21N3O3/c1-21-10-14-19-12-9-11(5-6-13(12)22-14)18-15(20)16(17)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,20)
InChIKeyYZGLVRNCSKTGQE-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.57
Rot. Bonds4

About 1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide

1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide (PubChem CID 119341847) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide
PubChem CID119341847
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide
SMILESCOCc1nc2cc(NC(=O)C3(N)CCCCC3)ccc2o1
InChIInChI=1S/C16H21N3O3/c1-21-10-14-19-12-9-11(5-6-13(12)22-14)18-15(20)16(17)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,20)
InChIKeyYZGLVRNCSKTGQE-UHFFFAOYSA-N
XLogP2.57
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide (CID 119341847) is 1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide is COCc1nc2cc(NC(=O)C3(N)CCCCC3)ccc2o1.
What is the InChIKey of 1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide?
The InChIKey is YZGLVRNCSKTGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-21-10-14-19-12-9-11(5-6-13(12)22-14)18-15(20)16(17)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10,17H2,1H3,(H,18,20).
What are the key properties of 1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide?
1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119341847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).