N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide

C16H23N5O2 — CID 50953307

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCc2nncn2C2CCCCC2)o1
InChIInChI=1S/C16H23N5O2/c1-3-14-19-11(2)15(23-14)16(22)17-9-13-20-18-10-21(13)12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3,(H,17,22)
InChIKeyAFVOFCXPJPIGRT-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.57
Rot. Bonds5

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 50953307) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID50953307
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCc2nncn2C2CCCCC2)o1
InChIInChI=1S/C16H23N5O2/c1-3-14-19-11(2)15(23-14)16(22)17-9-13-20-18-10-21(13)12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3,(H,17,22)
InChIKeyAFVOFCXPJPIGRT-UHFFFAOYSA-N
XLogP2.57
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide (CID 50953307) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NCc2nncn2C2CCCCC2)o1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is AFVOFCXPJPIGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-14-19-11(2)15(23-14)16(22)17-9-13-20-18-10-21(13)12-7-5-4-6-8-12/h10,12H,3-9H2,1-2H3,(H,17,22).
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 50953307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).