2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol

C14H24N2O2 — CID 109397976

IUPAC2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCCc1noc(C)c1CN(C)CC1CCCC1O
InChIInChI=1S/C14H24N2O2/c1-4-13-12(10(2)18-15-13)9-16(3)8-11-6-5-7-14(11)17/h11,14,17H,4-9H2,1-3H3
InChIKeyDSYBIDKADSFPHR-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.14
Rot. Bonds5

About 2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol

2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 109397976) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID109397976
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCCc1noc(C)c1CN(C)CC1CCCC1O
InChIInChI=1S/C14H24N2O2/c1-4-13-12(10(2)18-15-13)9-16(3)8-11-6-5-7-14(11)17/h11,14,17H,4-9H2,1-3H3
InChIKeyDSYBIDKADSFPHR-UHFFFAOYSA-N
XLogP2.14
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol (CID 109397976) is 2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol is CCc1noc(C)c1CN(C)CC1CCCC1O.
What is the InChIKey of 2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is DSYBIDKADSFPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-13-12(10(2)18-15-13)9-16(3)8-11-6-5-7-14(11)17/h11,14,17H,4-9H2,1-3H3.
What are the key properties of 2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol?
2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 109397976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).