N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide

C19H20N2O2 — CID 17163174

IUPACN-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C19H20N2O2/c1-2-3-9-18(22)20-15-10-11-17-16(13-15)21-19(23-17)12-14-7-5-4-6-8-14/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,20,22)
InChIKeyIWZCXSMRMKCVLM-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.55
Rot. Bonds6

About N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide

N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide (PubChem CID 17163174) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
PubChem CID17163174
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C19H20N2O2/c1-2-3-9-18(22)20-15-10-11-17-16(13-15)21-19(23-17)12-14-7-5-4-6-8-14/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,20,22)
InChIKeyIWZCXSMRMKCVLM-UHFFFAOYSA-N
XLogP4.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-1,3-benzoxazol-5-yl)pentanamide
CID 142744266
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide
CID 17163160
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide
CID 17163179
N-[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]butanamide
CID 54857866
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-bromophenoxy)acetamide
CID 17163242
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17163239
N-(2-benzyl-1,3-benzoxazol-5-yl)-2-methyl-2-phenoxypropanamide
CID 30308165
6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
CID 60945929
7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
CID 60946050
4-(2-ethoxyphenoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
CID 60549765

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide?
The IUPAC name of N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide (CID 17163174) is N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide.
What is the SMILES notation for N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide?
The canonical SMILES for N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide is CCCCC(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1.
What is the InChIKey of N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide?
The InChIKey is IWZCXSMRMKCVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-3-9-18(22)20-15-10-11-17-16(13-15)21-19(23-17)12-14-7-5-4-6-8-14/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,20,22).
What are the key properties of N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide?
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide has a molecular weight of 308.38 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide is sourced from PubChem (CID 17163174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).