N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide

C20H24N4O3 — CID 126770556

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESO=C(Nc1cc(CC2CCCCC2)[nH]n1)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C20H24N4O3/c25-19(15-6-8-17(9-7-15)24-10-11-27-20(24)26)21-18-13-16(22-23-18)12-14-4-2-1-3-5-14/h6-9,13-14H,1-5,10-12H2,(H2,21,22,23,25)
InChIKeyKNLCPKWVYVEJMI-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.74
Rot. Bonds5

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide (PubChem CID 126770556) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
PubChem CID126770556
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESO=C(Nc1cc(CC2CCCCC2)[nH]n1)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C20H24N4O3/c25-19(15-6-8-17(9-7-15)24-10-11-27-20(24)26)21-18-13-16(22-23-18)12-14-4-2-1-3-5-14/h6-9,13-14H,1-5,10-12H2,(H2,21,22,23,25)
InChIKeyKNLCPKWVYVEJMI-UHFFFAOYSA-N
XLogP3.74
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide (CID 126770556) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide is O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1ccc(N2CCOC2=O)cc1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The InChIKey is KNLCPKWVYVEJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19(15-6-8-17(9-7-15)24-10-11-27-20(24)26)21-18-13-16(22-23-18)12-14-4-2-1-3-5-14/h6-9,13-14H,1-5,10-12H2,(H2,21,22,23,25).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide has a molecular weight of 368.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide is sourced from PubChem (CID 126770556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).