(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine

C12H20N2O — CID 82507667

IUPAC(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine
SMILESCc1oc(C2CCCCCC2)nc1CN
InChIInChI=1S/C12H20N2O/c1-9-11(8-13)14-12(15-9)10-6-4-2-3-5-7-10/h10H,2-8,13H2,1H3
InChIKeyYRXHWZWPAONVQN-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.88
Rot. Bonds2

About (2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine

(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine (PubChem CID 82507667) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine
PubChem CID82507667
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine
SMILESCc1oc(C2CCCCCC2)nc1CN
InChIInChI=1S/C12H20N2O/c1-9-11(8-13)14-12(15-9)10-6-4-2-3-5-7-10/h10H,2-8,13H2,1H3
InChIKeyYRXHWZWPAONVQN-UHFFFAOYSA-N
XLogP2.88
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine?
The IUPAC name of (2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine (CID 82507667) is (2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine.
What is the SMILES notation for (2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine?
The canonical SMILES for (2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine is Cc1oc(C2CCCCCC2)nc1CN.
What is the InChIKey of (2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine?
The InChIKey is YRXHWZWPAONVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-11(8-13)14-12(15-9)10-6-4-2-3-5-7-10/h10H,2-8,13H2,1H3.
What are the key properties of (2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine?
(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine has a molecular weight of 208.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine is sourced from PubChem (CID 82507667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).