N-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H22N2O3 — CID 17095652

IUPACN-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NC3CCCCC3)C2)cc1
InChIInChI=1S/C17H22N2O3/c1-21-14-9-7-12(8-10-14)15-11-16(22-19-15)17(20)18-13-5-3-2-4-6-13/h7-10,13,16H,2-6,11H2,1H3,(H,18,20)
InChIKeyJUFHHUYLCHJMQB-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.64
Rot. Bonds4

About N-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095652) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095652
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NC3CCCCC3)C2)cc1
InChIInChI=1S/C17H22N2O3/c1-21-14-9-7-12(8-10-14)15-11-16(22-19-15)17(20)18-13-5-3-2-4-6-13/h7-10,13,16H,2-6,11H2,1H3,(H,18,20)
InChIKeyJUFHHUYLCHJMQB-UHFFFAOYSA-N
XLogP2.64
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095652) is N-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(=O)NC3CCCCC3)C2)cc1.
What is the InChIKey of N-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JUFHHUYLCHJMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-21-14-9-7-12(8-10-14)15-11-16(22-19-15)17(20)18-13-5-3-2-4-6-13/h7-10,13,16H,2-6,11H2,1H3,(H,18,20).
What are the key properties of N-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).