N-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide

C16H20N4O4 — CID 75535579

IUPACN-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCC(CNC(=O)c2ccon2)CC1)c1ccon1
InChIInChI=1S/C16H20N4O4/c21-15(13-5-7-23-19-13)17-9-11-1-2-12(4-3-11)10-18-16(22)14-6-8-24-20-14/h5-8,11-12H,1-4,9-10H2,(H,17,21)(H,18,22)
InChIKeyBZFHIEXSVVQGEH-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.63
Rot. Bonds6

About N-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide

N-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 75535579) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID75535579
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC NameN-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCC(CNC(=O)c2ccon2)CC1)c1ccon1
InChIInChI=1S/C16H20N4O4/c21-15(13-5-7-23-19-13)17-9-11-1-2-12(4-3-11)10-18-16(22)14-6-8-24-20-14/h5-8,11-12H,1-4,9-10H2,(H,17,21)(H,18,22)
InChIKeyBZFHIEXSVVQGEH-UHFFFAOYSA-N
XLogP1.63
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide (CID 75535579) is N-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CCC(CNC(=O)c2ccon2)CC1)c1ccon1.
What is the InChIKey of N-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BZFHIEXSVVQGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c21-15(13-5-7-23-19-13)17-9-11-1-2-12(4-3-11)10-18-16(22)14-6-8-24-20-14/h5-8,11-12H,1-4,9-10H2,(H,17,21)(H,18,22).
What are the key properties of N-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide?
N-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1,2-oxazole-3-carbonylamino)methyl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75535579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).