1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol

C16H20ClNO2 — CID 58369498

IUPAC1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol
SMILESOC(CCCCCCc1ccccc1)c1nc(Cl)co1
InChIInChI=1S/C16H20ClNO2/c17-15-12-20-16(18-15)14(19)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12,14,19H,1-2,4,7-8,11H2
InChIKeyMYCIZLAQZQDNAI-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.55
Rot. Bonds8

About 1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol

1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol (PubChem CID 58369498) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol
PubChem CID58369498
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol
SMILESOC(CCCCCCc1ccccc1)c1nc(Cl)co1
InChIInChI=1S/C16H20ClNO2/c17-15-12-20-16(18-15)14(19)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12,14,19H,1-2,4,7-8,11H2
InChIKeyMYCIZLAQZQDNAI-UHFFFAOYSA-N
XLogP4.55
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-ol
CID 67300739
1-(4-methylsulfanyl-1,3-oxazol-2-yl)-7-phenylheptan-1-ol
CID 44554443
15-phenylpentadecane-1,1-diol
CID 139927269
2-hydroxy-8-phenyloctanamide
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(2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol
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(1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol
CID 124566909
2-(8-phenyloctyl)propanedioic acid
CID 20544236
1-(2-chlorophenyl)-4-phenylbutan-1-ol
CID 62607678
4-phenylbutylbenzene
CID 141301927
2-methyl-7-phenylheptan-3-ol
CID 10976646
1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol
CID 79781097
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol?
The IUPAC name of 1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol (CID 58369498) is 1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol.
What is the SMILES notation for 1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol?
The canonical SMILES for 1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol is OC(CCCCCCc1ccccc1)c1nc(Cl)co1.
What is the InChIKey of 1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol?
The InChIKey is MYCIZLAQZQDNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-15-12-20-16(18-15)14(19)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12,14,19H,1-2,4,7-8,11H2.
What are the key properties of 1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol?
1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol has a molecular weight of 293.79 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-oxazol-2-yl)-7-phenylheptan-1-ol is sourced from PubChem (CID 58369498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).