N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide

C27H28N2O3 — CID 17163567

IUPACN-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide
SMILESCc1cc2nc(-c3ccc(CNC(=O)c4ccc(OCC(C)C)cc4)cc3)oc2cc1C
InChIInChI=1S/C27H28N2O3/c1-17(2)16-31-23-11-9-21(10-12-23)26(30)28-15-20-5-7-22(8-6-20)27-29-24-13-18(3)19(4)14-25(24)32-27/h5-14,17H,15-16H2,1-4H3,(H,28,30)
InChIKeyCTFOARLESTYIJN-UHFFFAOYSA-N
MW428.53 g/mol
LogP6.08
Rot. Bonds7

About N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide

N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide (PubChem CID 17163567) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide
PubChem CID17163567
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide
SMILESCc1cc2nc(-c3ccc(CNC(=O)c4ccc(OCC(C)C)cc4)cc3)oc2cc1C
InChIInChI=1S/C27H28N2O3/c1-17(2)16-31-23-11-9-21(10-12-23)26(30)28-15-20-5-7-22(8-6-20)27-29-24-13-18(3)19(4)14-25(24)32-27/h5-14,17H,15-16H2,1-4H3,(H,28,30)
InChIKeyCTFOARLESTYIJN-UHFFFAOYSA-N
XLogP6.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide 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-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide
CID 17163482
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17163458
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide
CID 1015710
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
CID 3969096
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
2-(4-bromophenoxy)-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-methylpropanamide
CID 17163578
N-[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-(2-methylpropoxy)benzamide
CID 5027281
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
CID 17163439
2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide
CID 17163454
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 2284222
4-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenoxy]methyl]aniline
CID 91678619

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide (CID 17163567) is N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide is Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(OCC(C)C)cc4)cc3)oc2cc1C.
What is the InChIKey of N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide?
The InChIKey is CTFOARLESTYIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-17(2)16-31-23-11-9-21(10-12-23)26(30)28-15-20-5-7-22(8-6-20)27-29-24-13-18(3)19(4)14-25(24)32-27/h5-14,17H,15-16H2,1-4H3,(H,28,30).
What are the key properties of N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide?
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide has a molecular weight of 428.53 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17163567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).