1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol

C14H19NO3 — CID 123554921

IUPAC1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol
SMILESCN1OCC2C(O)CC(OCc3ccccc3)C21
InChIInChI=1S/C14H19NO3/c1-15-14-11(9-18-15)12(16)7-13(14)17-8-10-5-3-2-4-6-10/h2-6,11-14,16H,7-9H2,1H3
InChIKeyRCIHHRMGKCPKRK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.20
Rot. Bonds3

About 1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol

1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol (PubChem CID 123554921) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol.

Molecular Properties

Compound Name1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol
PubChem CID123554921
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol
SMILESCN1OCC2C(O)CC(OCc3ccccc3)C21
InChIInChI=1S/C14H19NO3/c1-15-14-11(9-18-15)12(16)7-13(14)17-8-10-5-3-2-4-6-10/h2-6,11-14,16H,7-9H2,1H3
InChIKeyRCIHHRMGKCPKRK-UHFFFAOYSA-N
XLogP1.20
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol with MolForge

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Related Compounds

(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
CID 59979356
(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
(2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
CID 144531993
(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol
CID 134527646
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10671161
1-methyl-4-phenylmethoxypyrrolidin-3-amine
CID 126645177
(2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 10042151
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol?
The IUPAC name of 1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol (CID 123554921) is 1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol.
What is the SMILES notation for 1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol?
The canonical SMILES for 1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol is CN1OCC2C(O)CC(OCc3ccccc3)C21.
What is the InChIKey of 1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol?
The InChIKey is RCIHHRMGKCPKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15-14-11(9-18-15)12(16)7-13(14)17-8-10-5-3-2-4-6-10/h2-6,11-14,16H,7-9H2,1H3.
What are the key properties of 1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol?
1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol has a molecular weight of 249.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-phenylmethoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazol-4-ol is sourced from PubChem (CID 123554921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).