N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine

C12H11ClN4O — CID 164617725

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine
SMILESCn1c(Cl)cnc1CNc1ccc2ocnc2c1
InChIInChI=1S/C12H11ClN4O/c1-17-11(13)5-15-12(17)6-14-8-2-3-10-9(4-8)16-7-18-10/h2-5,7,14H,6H2,1H3
InChIKeyUSCYYGZYUXVARB-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.83
Rot. Bonds3

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine (PubChem CID 164617725) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine
PubChem CID164617725
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine
SMILESCn1c(Cl)cnc1CNc1ccc2ocnc2c1
InChIInChI=1S/C12H11ClN4O/c1-17-11(13)5-15-12(17)6-14-8-2-3-10-9(4-8)16-7-18-10/h2-5,7,14H,6H2,1H3
InChIKeyUSCYYGZYUXVARB-UHFFFAOYSA-N
XLogP2.83
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine (CID 164617725) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine is Cn1c(Cl)cnc1CNc1ccc2ocnc2c1.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine?
The InChIKey is USCYYGZYUXVARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-17-11(13)5-15-12(17)6-14-8-2-3-10-9(4-8)16-7-18-10/h2-5,7,14H,6H2,1H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine has a molecular weight of 262.70 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 164617725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).