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

C26H26N2O3 — CID 17163482

IUPACN-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide
SMILESCc1cc2nc(-c3ccc(CNC(=O)c4cccc(OC(C)C)c4)cc3)oc2cc1C
InChIInChI=1S/C26H26N2O3/c1-16(2)30-22-7-5-6-21(14-22)25(29)27-15-19-8-10-20(11-9-19)26-28-23-12-17(3)18(4)13-24(23)31-26/h5-14,16H,15H2,1-4H3,(H,27,29)
InChIKeyKVHZPNUCGDGDAC-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.83
Rot. Bonds6

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

N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide (PubChem CID 17163482) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide
PubChem CID17163482
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide
SMILESCc1cc2nc(-c3ccc(CNC(=O)c4cccc(OC(C)C)c4)cc3)oc2cc1C
InChIInChI=1S/C26H26N2O3/c1-16(2)30-22-7-5-6-21(14-22)25(29)27-15-19-8-10-20(11-9-19)26-28-23-12-17(3)18(4)13-24(23)31-26/h5-14,16H,15H2,1-4H3,(H,27,29)
InChIKeyKVHZPNUCGDGDAC-UHFFFAOYSA-N
XLogP5.83
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide 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-methoxybenzamide
CID 17163458
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-4-(2-methylpropoxy)benzamide
CID 17163567
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17100829
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-fluorobenzamide
CID 17163439
N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide
CID 15997458
2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide
CID 17163454
3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
CID 17336615
N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 130446005
N-[(3-methoxyphenyl)methyl]-2-pyridin-4-yl-1,3-benzoxazole-6-carboxamide
CID 134799606
N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]-3-propoxybenzamide
CID 6462401
2-(4-bromophenoxy)-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-2-methylpropanamide
CID 17163578
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide (CID 17163482) is N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide is Cc1cc2nc(-c3ccc(CNC(=O)c4cccc(OC(C)C)c4)cc3)oc2cc1C.
What is the InChIKey of N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide?
The InChIKey is KVHZPNUCGDGDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-16(2)30-22-7-5-6-21(14-22)25(29)27-15-19-8-10-20(11-9-19)26-28-23-12-17(3)18(4)13-24(23)31-26/h5-14,16H,15H2,1-4H3,(H,27,29).
What are the key properties of N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide?
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-propan-2-yloxybenzamide has a molecular weight of 414.51 g/mol, XLogP of 5.83, 6 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]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 17163482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).