N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide

C17H16N2O2 — CID 168654053

IUPACN-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide
SMILESCc1cc(C)c2oc(-c3ccc(C)c(NC=O)c3)nc2c1
InChIInChI=1S/C17H16N2O2/c1-10-6-12(3)16-15(7-10)19-17(21-16)13-5-4-11(2)14(8-13)18-9-20/h4-9H,1-3H3,(H,18,20)
InChIKeyRKFJOFXBNOMZHN-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.99
Rot. Bonds3

About N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide

N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide (PubChem CID 168654053) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide.

Molecular Properties

Compound NameN-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide
PubChem CID168654053
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide
SMILESCc1cc(C)c2oc(-c3ccc(C)c(NC=O)c3)nc2c1
InChIInChI=1S/C17H16N2O2/c1-10-6-12(3)16-15(7-10)19-17(21-16)13-5-4-11(2)14(8-13)18-9-20/h4-9H,1-3H3,(H,18,20)
InChIKeyRKFJOFXBNOMZHN-UHFFFAOYSA-N
XLogP3.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 1334018
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]hexanamide
CID 7123546
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-iodobenzamide
CID 3962920
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide
CID 1364099
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide
CID 1496932
2-(4-tert-butylphenyl)-5,7-dimethyl-1,3-benzoxazole
CID 71242093
5-bromo-N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methoxy-3-methylbenzamide
CID 3510723
5,7-dimethyl-2-pyridin-4-yl-1,3-benzoxazole
CID 95909923
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3419405
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 1048152
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3,4-dimethoxybenzamide
CID 1138944
5,7-dimethyl-2-[4-[(E)-2-(4-phenylphenyl)ethenyl]phenyl]-1,3-benzoxazole
CID 6441624

Frequently Asked Questions

What is the IUPAC name of N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide?
The IUPAC name of N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide (CID 168654053) is N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide.
What is the SMILES notation for N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide?
The canonical SMILES for N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide is Cc1cc(C)c2oc(-c3ccc(C)c(NC=O)c3)nc2c1.
What is the InChIKey of N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide?
The InChIKey is RKFJOFXBNOMZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-6-12(3)16-15(7-10)19-17(21-16)13-5-4-11(2)14(8-13)18-9-20/h4-9H,1-3H3,(H,18,20).
What are the key properties of N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide?
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide has a molecular weight of 280.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]formamide is sourced from PubChem (CID 168654053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).