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

C19H26N2O5 — CID 3240617

IUPACN-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C2=NOC(C(=O)NC3CCCCC3)C2)cc(OC)c1OC
InChIInChI=1S/C19H26N2O5/c1-23-15-9-12(10-16(24-2)18(15)25-3)14-11-17(26-21-14)19(22)20-13-7-5-4-6-8-13/h9-10,13,17H,4-8,11H2,1-3H3,(H,20,22)
InChIKeyWBBPIMBUDYBUSF-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.65
Rot. Bonds6

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

N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3240617) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3240617
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC NameN-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C2=NOC(C(=O)NC3CCCCC3)C2)cc(OC)c1OC
InChIInChI=1S/C19H26N2O5/c1-23-15-9-12(10-16(24-2)18(15)25-3)14-11-17(26-21-14)19(22)20-13-7-5-4-6-8-13/h9-10,13,17H,4-8,11H2,1-3H3,(H,20,22)
InChIKeyWBBPIMBUDYBUSF-UHFFFAOYSA-N
XLogP2.65
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3240617) is N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1cc(C2=NOC(C(=O)NC3CCCCC3)C2)cc(OC)c1OC.
What is the InChIKey of N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WBBPIMBUDYBUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-23-15-9-12(10-16(24-2)18(15)25-3)14-11-17(26-21-14)19(22)20-13-7-5-4-6-8-13/h9-10,13,17H,4-8,11H2,1-3H3,(H,20,22).
What are the key properties of N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3240617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).