[2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine

C12H13ClN2O — CID 115041880

IUPAC[2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine
SMILESCc1nc(-c2ccc(Cl)c(CN)c2)c(C)o1
InChIInChI=1S/C12H13ClN2O/c1-7-12(15-8(2)16-7)9-3-4-11(13)10(5-9)6-14/h3-5H,6,14H2,1-2H3
InChIKeyNUKGERXULZGKEX-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.07
Rot. Bonds2

About [2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine

[2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine (PubChem CID 115041880) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is [2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine
PubChem CID115041880
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name[2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine
SMILESCc1nc(-c2ccc(Cl)c(CN)c2)c(C)o1
InChIInChI=1S/C12H13ClN2O/c1-7-12(15-8(2)16-7)9-3-4-11(13)10(5-9)6-14/h3-5H,6,14H2,1-2H3
InChIKeyNUKGERXULZGKEX-UHFFFAOYSA-N
XLogP3.07
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine?
The IUPAC name of [2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine (CID 115041880) is [2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine?
The canonical SMILES for [2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine is Cc1nc(-c2ccc(Cl)c(CN)c2)c(C)o1.
What is the InChIKey of [2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine?
The InChIKey is NUKGERXULZGKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-7-12(15-8(2)16-7)9-3-4-11(13)10(5-9)6-14/h3-5H,6,14H2,1-2H3.
What are the key properties of [2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine?
[2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine has a molecular weight of 236.70 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 115041880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).