N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

C22H20N2O3 — CID 1016768

IUPACN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1
InChIInChI=1S/C22H20N2O3/c1-22(2,3)15-8-6-14(7-9-15)21-24-17-13-16(10-11-18(17)27-21)23-20(25)19-5-4-12-26-19/h4-13H,1-3H3,(H,23,25)
InChIKeyNDRFCOKOHBSPQW-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.64
Rot. Bonds3

About N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (PubChem CID 1016768) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
PubChem CID1016768
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1
InChIInChI=1S/C22H20N2O3/c1-22(2,3)15-8-6-14(7-9-15)21-24-17-13-16(10-11-18(17)27-21)23-20(25)19-5-4-12-26-19/h4-13H,1-3H3,(H,23,25)
InChIKeyNDRFCOKOHBSPQW-UHFFFAOYSA-N
XLogP5.64
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3442914
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 921718
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2,2-dimethylpropanamide
CID 17101697
N-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 39311457
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3736722
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17172258
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 17296967
N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide
CID 1299422
4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23960249
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 15994544
4-butoxy-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3877415

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide (CID 1016768) is N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide is CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
The InChIKey is NDRFCOKOHBSPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-22(2,3)15-8-6-14(7-9-15)21-24-17-13-16(10-11-18(17)27-21)23-20(25)19-5-4-12-26-19/h4-13H,1-3H3,(H,23,25).
What are the key properties of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide?
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 5.64, 3 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)-1,3-benzoxazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 1016768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).