2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine

C17H18N2O3 — CID 91676797

IUPAC2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
SMILESCNc1cc(C)c2oc(-c3ccc(OC)c(OC)c3)nc2c1
InChIInChI=1S/C17H18N2O3/c1-10-7-12(18-2)9-13-16(10)22-17(19-13)11-5-6-14(20-3)15(8-11)21-4/h5-9,18H,1-4H3
InChIKeyKTPMTXPCKSGIOY-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.86
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine

2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine (PubChem CID 91676797) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
PubChem CID91676797
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
SMILESCNc1cc(C)c2oc(-c3ccc(OC)c(OC)c3)nc2c1
InChIInChI=1S/C17H18N2O3/c1-10-7-12(18-2)9-13-16(10)22-17(19-13)11-5-6-14(20-3)15(8-11)21-4/h5-9,18H,1-4H3
InChIKeyKTPMTXPCKSGIOY-UHFFFAOYSA-N
XLogP3.86
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-7-methyl-1,3-benzoxazol-5-amine
CID 56772452
2-(3-chlorophenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
CID 91676665
N-[2-(3,4-dimethoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]-N-ethyl-2,2,2-trifluoroacetamide
CID 91677651
methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-1,3-benzoxazole-5-carboxylate
CID 139779387
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
2-chloro-N-[7-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683567
2-(2-chloro-4-methylphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine
CID 91676754
N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3,4-dimethoxybenzamide
CID 1138944
2-(3-chloro-4-methoxyphenyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 95910867
2,2,2-trifluoro-N-[2-(4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
CID 91676818
2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337852
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2-methoxy-3-methylbenzamide
CID 17128462

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine (CID 91676797) is 2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine is CNc1cc(C)c2oc(-c3ccc(OC)c(OC)c3)nc2c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine?
The InChIKey is KTPMTXPCKSGIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10-7-12(18-2)9-13-16(10)22-17(19-13)11-5-6-14(20-3)15(8-11)21-4/h5-9,18H,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine?
2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine has a molecular weight of 298.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N,7-dimethyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 91676797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).