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

C15H13ClN2O — CID 174464470

IUPACN-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine
SMILESCCc1ccc(Nc2nc3ccccc3o2)c(Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-2-10-7-8-12(11(16)9-10)17-15-18-13-5-3-4-6-14(13)19-15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyMTEFNXYTZZYJLZ-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.79
Rot. Bonds3

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

N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine (PubChem CID 174464470) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine
PubChem CID174464470
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC NameN-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine
SMILESCCc1ccc(Nc2nc3ccccc3o2)c(Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-2-10-7-8-12(11(16)9-10)17-15-18-13-5-3-4-6-14(13)19-15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyMTEFNXYTZZYJLZ-UHFFFAOYSA-N
XLogP4.79
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 90886573
2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid
CID 58984866
N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine
CID 53419153
2-[5-(1,3-benzoxazol-2-ylamino)-6-chloro-2-pyridinyl]butanoic acid
CID 87387439
2-N-(2-chlorophenyl)-1,3-benzoxazole-2,6-diamine
CID 79890014
N-[4-[[4-(1,3-benzoxazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzoxazol-2-amine
CID 14688880
2-N-(3-ethylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79884819
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine
CID 163211624
N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine
CID 53419157
N-(4-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine
CID 24759786
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine (CID 174464470) is N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine is CCc1ccc(Nc2nc3ccccc3o2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is MTEFNXYTZZYJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-2-10-7-8-12(11(16)9-10)17-15-18-13-5-3-4-6-14(13)19-15/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine?
N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 272.74 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 174464470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).