N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine

C16H16N2O3 — CID 60715920

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3o2)cc1OC
InChIInChI=1S/C16H16N2O3/c1-19-14-8-7-11(9-15(14)20-2)10-17-16-18-12-5-3-4-6-13(12)21-16/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyPDEFZDRISIWKEV-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.46
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine

N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 60715920) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine
PubChem CID60715920
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3o2)cc1OC
InChIInChI=1S/C16H16N2O3/c1-19-14-8-7-11(9-15(14)20-2)10-17-16-18-12-5-3-4-6-13(12)21-16/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyPDEFZDRISIWKEV-UHFFFAOYSA-N
XLogP3.46
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine
CID 36597653
N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
CID 24656847
N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
CID 34059746
N-[3-(2,5-dimethoxyphenyl)propyl]-1,3-benzoxazol-2-amine
CID 133405981
3-[(1,3-benzoxazol-2-ylamino)methyl]phenol
CID 22241271
N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzoxazol-2-amine
CID 33286552
N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 3111005
N-(1,3-benzoxazol-2-ylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 110741805
(E)-3-(1,3-benzoxazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]prop-2-enamide
CID 51189008
4-[[2-[(3,4-dimethoxyphenyl)methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxylic acid
CID 142780772
2-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436661
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 51233925

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine (CID 60715920) is N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine is COc1ccc(CNc2nc3ccccc3o2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is PDEFZDRISIWKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-19-14-8-7-11(9-15(14)20-2)10-17-16-18-12-5-3-4-6-13(12)21-16/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine?
N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 284.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 60715920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).