N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide

C20H23N5O2 — CID 126776378

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccn2)c1C(=O)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C20H23N5O2/c1-13-18(19(25-27-13)16-9-5-6-10-21-16)20(26)22-17-12-15(23-24-17)11-14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H2,22,23,24,26)
InChIKeyGZDPMYQWKRPPCA-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.14
Rot. Bonds5

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 126776378) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
PubChem CID126776378
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccn2)c1C(=O)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C20H23N5O2/c1-13-18(19(25-27-13)16-9-5-6-10-21-16)20(26)22-17-12-15(23-24-17)11-14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H2,22,23,24,26)
InChIKeyGZDPMYQWKRPPCA-UHFFFAOYSA-N
XLogP4.14
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide (CID 126776378) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccn2)c1C(=O)Nc1cc(CC2CCCCC2)[nH]n1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is GZDPMYQWKRPPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-18(19(25-27-13)16-9-5-6-10-21-16)20(26)22-17-12-15(23-24-17)11-14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H2,22,23,24,26).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 126776378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).