2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide

C18H18N2O3 — CID 12797660

IUPAC2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide
SMILESCCCN(C(=O)COc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-2-12-20(14-8-4-3-5-9-14)17(21)13-22-18-19-15-10-6-7-11-16(15)23-18/h3-11H,2,12-13H2,1H3
InChIKeyIYYZHEHIJCLBMG-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.65
Rot. Bonds6

About 2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide

2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide (PubChem CID 12797660) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide
PubChem CID12797660
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide
SMILESCCCN(C(=O)COc1nc2ccccc2o1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-2-12-20(14-8-4-3-5-9-14)17(21)13-22-18-19-15-10-6-7-11-16(15)23-18/h3-11H,2,12-13H2,1H3
InChIKeyIYYZHEHIJCLBMG-UHFFFAOYSA-N
XLogP3.65
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-yloxy)-N-ethyl-N-(2,4,4-trimethylcyclopenten-1-yl)acetamide
CID 54553934
2-propoxy-1,3-benzoxazole
CID 23395170
2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide
CID 70276790
2-pentoxy-1,3-benzoxazole
CID 175319075
2-(1,3-benzoxazol-2-yloxy)acetic acid;N-methyl-4-methylsulfanylaniline
CID 70536719
1,3-benzoxazol-2-yl propanoate
CID 57266328
3-bromo-N-phenyl-N-propylpropanamide
CID 118001559
2-(2-methylpropoxy)-1,3-benzoxazole
CID 122485672
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid
CID 61396354
1-(1,3-benzoxazol-2-yl)-N-butyl-N-phenylpiperidine-4-carboxamide
CID 24584534
diethyl 2-[2-(N-butylanilino)-2-oxoethyl]propanedioate
CID 135072362

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide (CID 12797660) is 2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide is CCCN(C(=O)COc1nc2ccccc2o1)c1ccccc1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide?
The InChIKey is IYYZHEHIJCLBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-12-20(14-8-4-3-5-9-14)17(21)13-22-18-19-15-10-6-7-11-16(15)23-18/h3-11H,2,12-13H2,1H3.
What are the key properties of 2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide?
2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide has a molecular weight of 310.35 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yloxy)-N-phenyl-N-propylacetamide is sourced from PubChem (CID 12797660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).