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

C20H22N2O2 — CID 17172258

IUPACN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1
InChIInChI=1S/C20H22N2O2/c1-5-18(23)21-15-10-11-17-16(12-15)22-19(24-17)13-6-8-14(9-7-13)20(2,3)4/h6-12H,5H2,1-4H3,(H,21,23)
InChIKeyWLVCXYMWKVJZSA-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.14
Rot. Bonds3

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

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide (PubChem CID 17172258) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide
PubChem CID17172258
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1
InChIInChI=1S/C20H22N2O2/c1-5-18(23)21-15-10-11-17-16(12-15)22-19(24-17)13-6-8-14(9-7-13)20(2,3)4/h6-12H,5H2,1-4H3,(H,21,23)
InChIKeyWLVCXYMWKVJZSA-UHFFFAOYSA-N
XLogP5.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 21211482
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2,2-dimethylpropanamide
CID 17101697
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide
CID 1361244
4-butoxy-N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3877415
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 1016768
2-(4-tert-butylphenoxy)-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2721118
2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 15994049
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 15994544
2-cyano-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 168522173
2-(4-tert-butylphenoxy)-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 23960858
2-(4-tert-butylphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092662
N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide
CID 4523636

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide (CID 17172258) is N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide is CCC(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide?
The InChIKey is WLVCXYMWKVJZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-5-18(23)21-15-10-11-17-16(12-15)22-19(24-17)13-6-8-14(9-7-13)20(2,3)4/h6-12H,5H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide?
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanamide is sourced from PubChem (CID 17172258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).