ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine

C19H26N2O — CID 90886573

IUPACethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
SMILESCC.CC.CCc1ccc(Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C15H14N2O.2C2H6/c1-2-11-7-9-12(10-8-11)16-15-17-13-5-3-4-6-14(13)18-15;2*1-2/h3-10H,2H2,1H3,(H,16,17);2*1-2H3
InChIKeyQMRPBRLWLXUKHR-UHFFFAOYSA-N
MW298.43 g/mol
LogP6.19
Rot. Bonds3

About ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine

ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine (PubChem CID 90886573) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Nameethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
PubChem CID90886573
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Nameethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
SMILESCC.CC.CCc1ccc(Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C15H14N2O.2C2H6/c1-2-11-7-9-12(10-8-11)16-15-17-13-5-3-4-6-14(13)18-15;2*1-2/h3-10H,2H2,1H3,(H,16,17);2*1-2H3
InChIKeyQMRPBRLWLXUKHR-UHFFFAOYSA-N
XLogP6.19
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[4-(1,3-benzoxazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzoxazol-2-amine
CID 14688880
N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine
CID 24759786
N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 174464470
N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine
CID 53419153
N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine
CID 53419157
2-anilino-1,3-benzoxazol-6-ol;ethane
CID 91286009
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-[4-[methyl(2,3,3-trimethylbutan-2-yloxy)boranyl]phenyl]-1,3-benzoxazol-2-amine
CID 142172636
methyl 4-[4-(1,3-benzoxazol-2-ylamino)phenoxy]butanoate
CID 133302692
2-N-(3-ethylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79884819
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide
CID 54857948

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine (CID 90886573) is ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine is CC.CC.CCc1ccc(Nc2nc3ccccc3o2)cc1.
What is the InChIKey of ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is QMRPBRLWLXUKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O.2C2H6/c1-2-11-7-9-12(10-8-11)16-15-17-13-5-3-4-6-14(13)18-15;2*1-2/h3-10H,2H2,1H3,(H,16,17);2*1-2H3.
What are the key properties of ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine?
ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 298.43 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 90886573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).