N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide

C19H20N2O2 — CID 17100843

IUPACN-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
SMILESCCc1ccc2oc(-c3cccc(NC(=O)C(C)C)c3)nc2c1
InChIInChI=1S/C19H20N2O2/c1-4-13-8-9-17-16(10-13)21-19(23-17)14-6-5-7-15(11-14)20-18(22)12(2)3/h5-12H,4H2,1-3H3,(H,20,22)
InChIKeyAUYCCXHFQBCPQW-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.65
Rot. Bonds4

About N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide

N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide (PubChem CID 17100843) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
PubChem CID17100843
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
SMILESCCc1ccc2oc(-c3cccc(NC(=O)C(C)C)c3)nc2c1
InChIInChI=1S/C19H20N2O2/c1-4-13-8-9-17-16(10-13)21-19(23-17)14-6-5-7-15(11-14)20-18(22)12(2)3/h5-12H,4H2,1-3H3,(H,20,22)
InChIKeyAUYCCXHFQBCPQW-UHFFFAOYSA-N
XLogP4.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]pyridine-4-carboxamide
CID 777133
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 881883
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzamide
CID 1363898
N-ethyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
CID 91677714
4-ethyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 15987513
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxybenzamide
CID 1364095
2-[2-[3-[[3-[5-(carboxymethyl)-1,3-benzoxazol-2-yl]phenyl]carbamoylamino]phenyl]-1,3-benzoxazol-5-yl]acetic acid
CID 135341108
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 17027173
N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 5144160
3,6-dichloro-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 4009990
5-bromo-N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 3966966
N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2,2-diphenylacetamide
CID 27235892

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide (CID 17100843) is N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide is CCc1ccc2oc(-c3cccc(NC(=O)C(C)C)c3)nc2c1.
What is the InChIKey of N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is AUYCCXHFQBCPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-4-13-8-9-17-16(10-13)21-19(23-17)14-6-5-7-15(11-14)20-18(22)12(2)3/h5-12H,4H2,1-3H3,(H,20,22).
What are the key properties of N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 17100843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).