N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide

C22H23N5O2 — CID 38332153

IUPACN-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cnn1-c1ccccn1
InChIInChI=1S/C22H23N5O2/c1-5-17-15(13-24-27(17)19-8-6-7-11-23-19)20(28)25-14-9-10-18-16(12-14)26-21(29-18)22(2,3)4/h6-13H,5H2,1-4H3,(H,25,28)
InChIKeyXWKYUGURKYMMOL-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.52
Rot. Bonds4

About N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 38332153) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID38332153
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cnn1-c1ccccn1
InChIInChI=1S/C22H23N5O2/c1-5-17-15(13-24-27(17)19-8-6-7-11-23-19)20(28)25-14-9-10-18-16(12-14)26-21(29-18)22(2,3)4/h6-13H,5H2,1-4H3,(H,25,28)
InChIKeyXWKYUGURKYMMOL-UHFFFAOYSA-N
XLogP4.52
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide with MolForge

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Related Compounds

5-ethyl-N-(3-hydroxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885720
N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide
CID 46416181
5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55827653
propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 91885717
5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55914939
5-ethyl-1-pyridin-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 55604055
N-(4-cyclopentylsulfanylphenyl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38021535
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 87043673
5-ethyl-N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885724
N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944134

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 38332153) is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cnn1-c1ccccn1.
What is the InChIKey of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is XWKYUGURKYMMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-5-17-15(13-24-27(17)19-8-6-7-11-23-19)20(28)25-14-9-10-18-16(12-14)26-21(29-18)22(2,3)4/h6-13H,5H2,1-4H3,(H,25,28).
What are the key properties of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 38332153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).