N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine

C13H8Cl2N2O — CID 53419153

IUPACN-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine
SMILESClc1cc(Cl)cc(Nc2nc3ccccc3o2)c1
InChIInChI=1S/C13H8Cl2N2O/c14-8-5-9(15)7-10(6-8)16-13-17-11-3-1-2-4-12(11)18-13/h1-7H,(H,16,17)
InChIKeyORMFITUXSCBNKI-UHFFFAOYSA-N
MW279.13 g/mol
LogP4.88
Rot. Bonds2

About N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine

N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine (PubChem CID 53419153) has the molecular formula C13H8Cl2N2O and a molecular weight of 279.13 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine
PubChem CID53419153
Molecular FormulaC13H8Cl2N2O
Molecular Weight279.13 g/mol
Exact Mass278.00
IUPAC NameN-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine
SMILESClc1cc(Cl)cc(Nc2nc3ccccc3o2)c1
InChIInChI=1S/C13H8Cl2N2O/c14-8-5-9(15)7-10(6-8)16-13-17-11-3-1-2-4-12(11)18-13/h1-7H,(H,16,17)
InChIKeyORMFITUXSCBNKI-UHFFFAOYSA-N
XLogP4.88
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 54.88
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-(5-chloro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine
CID 50879036
ethane;N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 90886573
N-(3-ethoxyphenyl)-1,3-benzoxazol-2-amine
CID 53419157
N-[4-bromo-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-amine
CID 12898686
N-(2-chloro-4-ethylphenyl)-1,3-benzoxazol-2-amine
CID 174464470
2-anilino-1,3-benzoxazol-6-ol;ethane
CID 91286009
2-[4-(1,3-benzoxazol-2-ylamino)-2,5-dichlorophenyl]acetic acid
CID 58984866
N-[4-[methyl(2,3,3-trimethylbutan-2-yloxy)boranyl]phenyl]-1,3-benzoxazol-2-amine
CID 142172636
6-methyl-N-phenyl-1,3-benzoxazol-2-amine
CID 59991820
6-chloro-N-(1,2-oxazol-4-yl)-1,3-benzoxazol-2-amine
CID 134284113
N-(1,3-benzoxazol-2-yl)-2-(4-chlorophenyl)acetamide
CID 90655333

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine (CID 53419153) is N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine is Clc1cc(Cl)cc(Nc2nc3ccccc3o2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine?
The InChIKey is ORMFITUXSCBNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O/c14-8-5-9(15)7-10(6-8)16-13-17-11-3-1-2-4-12(11)18-13/h1-7H,(H,16,17).
What are the key properties of N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine?
N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine has a molecular weight of 279.13 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 53419153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).