2-pentoxy-4,5-dihydro-1,3-oxazole

C8H15NO2 — CID 20523760

IUPAC2-pentoxy-4,5-dihydro-1,3-oxazole
SMILESCCCCCOC1=NCCO1
InChIInChI=1S/C8H15NO2/c1-2-3-4-6-10-8-9-5-7-11-8/h2-7H2,1H3
InChIKeyUZKJKUQQMYNECC-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.58
Rot. Bonds4

About 2-pentoxy-4,5-dihydro-1,3-oxazole

2-pentoxy-4,5-dihydro-1,3-oxazole (PubChem CID 20523760) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-pentoxy-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-pentoxy-4,5-dihydro-1,3-oxazole
PubChem CID20523760
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-pentoxy-4,5-dihydro-1,3-oxazole
SMILESCCCCCOC1=NCCO1
InChIInChI=1S/C8H15NO2/c1-2-3-4-6-10-8-9-5-7-11-8/h2-7H2,1H3
InChIKeyUZKJKUQQMYNECC-UHFFFAOYSA-N
XLogP1.58
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-but-2-enoxy]-4,5-dihydro-1,3-oxazole
CID 20523835
2-nonadecyl-4,5-dihydro-1,3-oxazole
CID 22999535
2-tetradecyl-4,5-dihydro-1,3-oxazole;2-tridecyl-4,5-dihydro-1,3-oxazole
CID 22999547
5-(4,5-dihydro-1,3-oxazol-2-yloxy)pent-1-en-3-one
CID 23067269
2-[4-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1,3-oxazole
CID 101158945
2-decan-2-yl-4,5-dihydro-1,3-oxazole
CID 19825999
2-butoxy-4,5-dihydro-1,3-thiazole
CID 174476981
2-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 132519397
6-methyl-2-tetradecoxy-4H-3,1-benzoxazine
CID 141058828
1,4-dipentoxybenzene
CID 18314717
6,11,20,25,34,39-hexakis-decoxy-5,7,10,12,19,21,24,26,33,35,38,40-dodecafluorotridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9(14),10,12,15,17,19,21,23,25,27,29,31(36),32,34,37,39,41-henicosaene
CID 101373436
3-decoxy-2,4,5-trimethylthiophene;5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 54484872

Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-pentoxy-4,5-dihydro-1,3-oxazole (CID 20523760) is 2-pentoxy-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-pentoxy-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-pentoxy-4,5-dihydro-1,3-oxazole is CCCCCOC1=NCCO1.
What is the InChIKey of 2-pentoxy-4,5-dihydro-1,3-oxazole?
The InChIKey is UZKJKUQQMYNECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-4-6-10-8-9-5-7-11-8/h2-7H2,1H3.
What are the key properties of 2-pentoxy-4,5-dihydro-1,3-oxazole?
2-pentoxy-4,5-dihydro-1,3-oxazole has a molecular weight of 157.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 20523760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).