5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide

C21H32N2O2 — CID 25110496

IUPAC5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
SMILESCC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCCC1C
InChIInChI=1S/C21H32N2O2/c1-14-7-3-5-9-18(14)23(19-10-6-4-8-15(19)2)21(24)17-13-20(25-22-17)16-11-12-16/h13-16,18-19H,3-12H2,1-2H3
InChIKeyXVWDFPZSRGALNR-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.15
Rot. Bonds4

About 5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide

5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide (PubChem CID 25110496) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
PubChem CID25110496
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
SMILESCC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCCC1C
InChIInChI=1S/C21H32N2O2/c1-14-7-3-5-9-18(14)23(19-10-6-4-8-15(19)2)21(24)17-13-20(25-22-17)16-11-12-16/h13-16,18-19H,3-12H2,1-2H3
InChIKeyXVWDFPZSRGALNR-UHFFFAOYSA-N
XLogP5.15
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide (CID 25110496) is 5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide is CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCCC1C.
What is the InChIKey of 5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XVWDFPZSRGALNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-14-7-3-5-9-18(14)23(19-10-6-4-8-15(19)2)21(24)17-13-20(25-22-17)16-11-12-16/h13-16,18-19H,3-12H2,1-2H3.
What are the key properties of 5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N,N-bis(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25110496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).