N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine

C15H14N2O2 — CID 53419157

IUPACN-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCCOc1cccc(Nc2nc3ccccc3o2)c1
InChIInChI=1S/C15H14N2O2/c1-2-18-12-7-5-6-11(10-12)16-15-17-13-8-3-4-9-14(13)19-15/h3-10H,2H2,1H3,(H,16,17)
InChIKeyITYZDFAZCRHMHA-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.97
Rot. Bonds4

About N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine

N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine (PubChem CID 53419157) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine
PubChem CID53419157
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCCOc1cccc(Nc2nc3ccccc3o2)c1
InChIInChI=1S/C15H14N2O2/c1-2-18-12-7-5-6-11(10-12)16-15-17-13-8-3-4-9-14(13)19-15/h3-10H,2H2,1H3,(H,16,17)
InChIKeyITYZDFAZCRHMHA-UHFFFAOYSA-N
XLogP3.97
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-(3-ethoxyphenyl)cyclopropyl]-1,3-benzoxazol-2-amine
CID 97258798
N-(3-methoxyphenyl)-5-methyl-1,3-benzoxazol-2-amine
CID 52945478
5-(chloromethyl)-N-(3-ethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 106957194
ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 90886573
2-N-(3-methoxyphenyl)-1,3-benzoxazole-2,5-diamine
CID 79884918
N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine
CID 53419153
N-[4-[[4-(1,3-benzoxazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzoxazol-2-amine
CID 14688880
N-tert-butyl-3-ethoxyaniline
CID 58745523
6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine
CID 63961957
N-[2-(4-ethoxyanilino)-1,3-benzoxazol-6-yl]ethanesulfonamide
CID 57403512
N-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine
CID 2387945
methyl 4-[4-(1,3-benzoxazol-2-ylamino)phenoxy]butanoate
CID 133302692

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine (CID 53419157) is N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine is CCOc1cccc(Nc2nc3ccccc3o2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is ITYZDFAZCRHMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-18-12-7-5-6-11(10-12)16-15-17-13-8-3-4-9-14(13)19-15/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine?
N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 254.29 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 53419157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).