3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide

C19H20N2O4 — CID 110390495

IUPAC3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)CCc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C19H20N2O4/c1-12(2)24-15-7-5-14(6-8-15)20-18(22)10-4-13-3-9-17-16(11-13)21-19(23)25-17/h3,5-9,11-12H,4,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWOCGKCGTGRWSPE-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.48
Rot. Bonds6

About 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide

3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 110390495) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID110390495
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)CCc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C19H20N2O4/c1-12(2)24-15-7-5-14(6-8-15)20-18(22)10-4-13-3-9-17-16(11-13)21-19(23)25-17/h3,5-9,11-12H,4,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWOCGKCGTGRWSPE-UHFFFAOYSA-N
XLogP3.48
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 110390501
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390488
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide
CID 110678767
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide
CID 166190370
3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616374
ethyl 4-[[2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetyl]amino]benzoate
CID 110774069
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 110678766

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide (CID 110390495) is 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(NC(=O)CCc2ccc3oc(=O)[nH]c3c2)cc1.
What is the InChIKey of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is WOCGKCGTGRWSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(2)24-15-7-5-14(6-8-15)20-18(22)10-4-13-3-9-17-16(11-13)21-19(23)25-17/h3,5-9,11-12H,4,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 110390495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).