3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide

C18H18N2O2 — CID 110390639

IUPAC3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C18H18N2O2/c1-12-3-7-15(8-4-12)20-18(21)10-6-14-5-9-17-16(11-14)19-13(2)22-17/h3-5,7-9,11H,6,10H2,1-2H3,(H,20,21)
InChIKeyGYSYZHGABFZVHR-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.02
Rot. Bonds4

About 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide

3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide (PubChem CID 110390639) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide
PubChem CID110390639
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C18H18N2O2/c1-12-3-7-15(8-4-12)20-18(21)10-6-14-5-9-17-16(11-14)19-13(2)22-17/h3-5,7-9,11H,6,10H2,1-2H3,(H,20,21)
InChIKeyGYSYZHGABFZVHR-UHFFFAOYSA-N
XLogP4.02
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390691
N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390658
N-(2-methoxy-5-methylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390666
3-(4-ethoxyphenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 60572554
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390565
N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390561
N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390669
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110390667
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide (CID 110390639) is 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCc2ccc3oc(C)nc3c2)cc1.
What is the InChIKey of 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is GYSYZHGABFZVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-3-7-15(8-4-12)20-18(21)10-6-14-5-9-17-16(11-14)19-13(2)22-17/h3-5,7-9,11H,6,10H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide?
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 294.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 110390639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).