7-chloro-4-methyl-1,3-benzoxazol-2-amine

C8H7ClN2O — CID 82229807

IUPAC7-chloro-4-methyl-1,3-benzoxazol-2-amine
SMILESCc1ccc(Cl)c2oc(N)nc12
InChIInChI=1S/C8H7ClN2O/c1-4-2-3-5(9)7-6(4)11-8(10)12-7/h2-3H,1H3,(H2,10,11)
InChIKeyRPCYJVBIXLHSMX-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.37
Rot. Bonds

About 7-chloro-4-methyl-1,3-benzoxazol-2-amine

7-chloro-4-methyl-1,3-benzoxazol-2-amine (PubChem CID 82229807) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 7-chloro-4-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-chloro-4-methyl-1,3-benzoxazol-2-amine
PubChem CID82229807
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name7-chloro-4-methyl-1,3-benzoxazol-2-amine
SMILESCc1ccc(Cl)c2oc(N)nc12
InChIInChI=1S/C8H7ClN2O/c1-4-2-3-5(9)7-6(4)11-8(10)12-7/h2-3H,1H3,(H2,10,11)
InChIKeyRPCYJVBIXLHSMX-UHFFFAOYSA-N
XLogP2.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-7-methyl-1,3-benzoxazol-2-amine
CID 66644540
4-methylbenzo[g][1,3]benzoxazol-2-amine
CID 126618076
5-chloro-7-methyl-1,3-benzoxazol-2-amine
CID 62368889
4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine
CID 130512810
7-bromo-4,6-dichloro-1,3-benzoxazol-2-amine
CID 82233669
7-methyl-1,3-benzoxazole-2,5-diamine
CID 95910767
2-tert-butyl-5-chloro-8-methylquinolin-4-amine
CID 62202543
2-(chloromethyl)-4,7-dimethyl-1,3-benzoxazole
CID 10035562
5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine
CID 28809377
7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine
CID 94979363
7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 129201835
7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 145013764

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of 7-chloro-4-methyl-1,3-benzoxazol-2-amine (CID 82229807) is 7-chloro-4-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-chloro-4-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-chloro-4-methyl-1,3-benzoxazol-2-amine is Cc1ccc(Cl)c2oc(N)nc12.
What is the InChIKey of 7-chloro-4-methyl-1,3-benzoxazol-2-amine?
The InChIKey is RPCYJVBIXLHSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-4-2-3-5(9)7-6(4)11-8(10)12-7/h2-3H,1H3,(H2,10,11).
What are the key properties of 7-chloro-4-methyl-1,3-benzoxazol-2-amine?
7-chloro-4-methyl-1,3-benzoxazol-2-amine has a molecular weight of 182.61 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 82229807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).