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

C16H22N2O3 — CID 109398034

IUPAC2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCc1oc(-c2ccco2)nc1CN(C)CC1CCCC1O
InChIInChI=1S/C16H22N2O3/c1-11-13(17-16(21-11)15-7-4-8-20-15)10-18(2)9-12-5-3-6-14(12)19/h4,7-8,12,14,19H,3,5-6,9-10H2,1-2H3
InChIKeyHAECXRCEOBCQON-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.84
Rot. Bonds5

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

2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 109398034) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID109398034
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCc1oc(-c2ccco2)nc1CN(C)CC1CCCC1O
InChIInChI=1S/C16H22N2O3/c1-11-13(17-16(21-11)15-7-4-8-20-15)10-18(2)9-12-5-3-6-14(12)19/h4,7-8,12,14,19H,3,5-6,9-10H2,1-2H3
InChIKeyHAECXRCEOBCQON-UHFFFAOYSA-N
XLogP2.84
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol (CID 109398034) is 2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol is Cc1oc(-c2ccco2)nc1CN(C)CC1CCCC1O.
What is the InChIKey of 2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is HAECXRCEOBCQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-13(17-16(21-11)15-7-4-8-20-15)10-18(2)9-12-5-3-6-14(12)19/h4,7-8,12,14,19H,3,5-6,9-10H2,1-2H3.
What are the key properties of 2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol?
2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 290.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 109398034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).