N-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C16H26N2O2 — CID 59721490

IUPACN-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C(C)C)C2CCCCC2)o1
InChIInChI=1S/C16H26N2O2/c1-10(2)14(13-8-6-5-7-9-13)18-16(19)15-11(3)17-12(4)20-15/h10,13-14H,5-9H2,1-4H3,(H,18,19)
InChIKeyNBQAULGFMLXSAU-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.63
Rot. Bonds4

About N-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 59721490) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID59721490
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C(C)C)C2CCCCC2)o1
InChIInChI=1S/C16H26N2O2/c1-10(2)14(13-8-6-5-7-9-13)18-16(19)15-11(3)17-12(4)20-15/h10,13-14H,5-9H2,1-4H3,(H,18,19)
InChIKeyNBQAULGFMLXSAU-UHFFFAOYSA-N
XLogP3.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 59721490) is N-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NC(C(C)C)C2CCCCC2)o1.
What is the InChIKey of N-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is NBQAULGFMLXSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(2)14(13-8-6-5-7-9-13)18-16(19)15-11(3)17-12(4)20-15/h10,13-14H,5-9H2,1-4H3,(H,18,19).
What are the key properties of N-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 59721490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).