3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide

C20H22N2O3 — CID 110390667

IUPAC3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCc1nc2cc(CCC(=O)Nc3ccccc3OC(C)C)ccc2o1
InChIInChI=1S/C20H22N2O3/c1-13(2)24-18-7-5-4-6-16(18)22-20(23)11-9-15-8-10-19-17(12-15)21-14(3)25-19/h4-8,10,12-13H,9,11H2,1-3H3,(H,22,23)
InChIKeyUUWMZHBPTBZNCQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.49
Rot. Bonds6

About 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide

3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 110390667) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID110390667
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCc1nc2cc(CCC(=O)Nc3ccccc3OC(C)C)ccc2o1
InChIInChI=1S/C20H22N2O3/c1-13(2)24-18-7-5-4-6-16(18)22-20(23)11-9-15-8-10-19-17(12-15)21-14(3)25-19/h4-8,10,12-13H,9,11H2,1-3H3,(H,22,23)
InChIKeyUUWMZHBPTBZNCQ-UHFFFAOYSA-N
XLogP4.49
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390666
N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390669
3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 38999781
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide
CID 110390639
N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390691
3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 110707517
N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390658
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 38114418
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110678896
N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390579
3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110390306

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide (CID 110390667) is 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide is Cc1nc2cc(CCC(=O)Nc3ccccc3OC(C)C)ccc2o1.
What is the InChIKey of 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is UUWMZHBPTBZNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13(2)24-18-7-5-4-6-16(18)22-20(23)11-9-15-8-10-19-17(12-15)21-14(3)25-19/h4-8,10,12-13H,9,11H2,1-3H3,(H,22,23).
What are the key properties of 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide?
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 338.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 110390667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).