N-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide

C12H18N2O3 — CID 90573921

IUPACN-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCC2CCCCC2)on1
InChIInChI=1S/C12H18N2O3/c1-16-11-7-10(17-14-11)12(15)13-8-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,13,15)
InChIKeyHXGKTDXJJKBZRU-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.99
Rot. Bonds4

About N-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide

N-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 90573921) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID90573921
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCC2CCCCC2)on1
InChIInChI=1S/C12H18N2O3/c1-16-11-7-10(17-14-11)12(15)13-8-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,13,15)
InChIKeyHXGKTDXJJKBZRU-UHFFFAOYSA-N
XLogP1.99
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide (CID 90573921) is N-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NCC2CCCCC2)on1.
What is the InChIKey of N-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is HXGKTDXJJKBZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-11-7-10(17-14-11)12(15)13-8-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,13,15).
What are the key properties of N-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide?
N-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90573921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).