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

C12H20N2O — CID 105462134

IUPAC(5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine
SMILESCc1noc(C2CCCCCC2)c1CN
InChIInChI=1S/C12H20N2O/c1-9-11(8-13)12(15-14-9)10-6-4-2-3-5-7-10/h10H,2-8,13H2,1H3
InChIKeyXXXBYQKKVBPOQD-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.88
Rot. Bonds2

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

(5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine (PubChem CID 105462134) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine
PubChem CID105462134
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine
SMILESCc1noc(C2CCCCCC2)c1CN
InChIInChI=1S/C12H20N2O/c1-9-11(8-13)12(15-14-9)10-6-4-2-3-5-7-10/h10H,2-8,13H2,1H3
InChIKeyXXXBYQKKVBPOQD-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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Related Compounds

2-(5-cyclopentyl-3-methyl-1,2-oxazol-4-yl)acetic acid
CID 105462752
[3-methyl-5-(oxan-2-yl)-1,2-oxazol-4-yl]methanamine
CID 105449979
[5-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazol-4-yl]methanamine
CID 105488145
(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 62744554
(5-cyclohexyl-4-methyl-1,3-oxazol-2-yl)methanamine
CID 105448363
3-cyclohexyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 4842107
4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole
CID 139345619
4-(aminomethyl)-3-methyl-1,2-oxazol-5-amine
CID 82502400
methyl 2-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)acetate
CID 162373149
5-cyclopentyl-4-iodo-1,2-oxazol-3-amine
CID 79557488
5-cyclobutyl-4-methyl-1,2-oxazol-3-amine
CID 66198796
(3-cyclohexyl-2,1-benzoxazol-5-yl)methanamine
CID 105488359

Frequently Asked Questions

What is the IUPAC name of (5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine?
The IUPAC name of (5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine (CID 105462134) is (5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine.
What is the SMILES notation for (5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine?
The canonical SMILES for (5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine is Cc1noc(C2CCCCCC2)c1CN.
What is the InChIKey of (5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine?
The InChIKey is XXXBYQKKVBPOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-11(8-13)12(15-14-9)10-6-4-2-3-5-7-10/h10H,2-8,13H2,1H3.
What are the key properties of (5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine?
(5-cycloheptyl-3-methyl-1,2-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 (5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine is sourced from PubChem (CID 105462134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).