N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

C21H23N3O2 — CID 112845456

IUPACN-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1ccc(CCNC(=O)c2cc(-c3ccncc3)on2)cc1
InChIInChI=1S/C21H23N3O2/c1-21(2,3)17-6-4-15(5-7-17)8-13-23-20(25)18-14-19(26-24-18)16-9-11-22-12-10-16/h4-7,9-12,14H,8,13H2,1-3H3,(H,23,25)
InChIKeyDKTWNNVSHYIDTP-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.01
Rot. Bonds5

About N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 112845456) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID112845456
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1ccc(CCNC(=O)c2cc(-c3ccncc3)on2)cc1
InChIInChI=1S/C21H23N3O2/c1-21(2,3)17-6-4-15(5-7-17)8-13-23-20(25)18-14-19(26-24-18)16-9-11-22-12-10-16/h4-7,9-12,14H,8,13H2,1-3H3,(H,23,25)
InChIKeyDKTWNNVSHYIDTP-UHFFFAOYSA-N
XLogP4.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide
CID 71090833
N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119630359
5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 46087322
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 111335201
5-(furan-2-yl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 24720451
5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide
CID 24964413
5-phenyl-N-(2-pyridin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 24738148
N-[2-(4-methoxyphenyl)ethyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904543
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15998422
5-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 15994186
4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 56910378

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (CID 112845456) is N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is CC(C)(C)c1ccc(CCNC(=O)c2cc(-c3ccncc3)on2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is DKTWNNVSHYIDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-21(2,3)17-6-4-15(5-7-17)8-13-23-20(25)18-14-19(26-24-18)16-9-11-22-12-10-16/h4-7,9-12,14H,8,13H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 112845456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).