4-(1,2-oxazol-3-ylmethoxy)butan-1-ol

C8H13NO3 — CID 153330180

IUPAC4-(1,2-oxazol-3-ylmethoxy)butan-1-ol
SMILESOCCCCOCc1ccon1
InChIInChI=1S/C8H13NO3/c10-4-1-2-5-11-7-8-3-6-12-9-8/h3,6,10H,1-2,4-5,7H2
InChIKeyBLALSGPZRDNOOL-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.96
Rot. Bonds6

About 4-(1,2-oxazol-3-ylmethoxy)butan-1-ol

4-(1,2-oxazol-3-ylmethoxy)butan-1-ol (PubChem CID 153330180) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-(1,2-oxazol-3-ylmethoxy)butan-1-ol.

Molecular Properties

Compound Name4-(1,2-oxazol-3-ylmethoxy)butan-1-ol
PubChem CID153330180
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-(1,2-oxazol-3-ylmethoxy)butan-1-ol
SMILESOCCCCOCc1ccon1
InChIInChI=1S/C8H13NO3/c10-4-1-2-5-11-7-8-3-6-12-9-8/h3,6,10H,1-2,4-5,7H2
InChIKeyBLALSGPZRDNOOL-UHFFFAOYSA-N
XLogP0.96
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 1,2-oxazole-3-carboxylate
CID 20434963
Ethyl 1,2-oxazole-3-carboxylate
CID 10034712
1,2-Oxazol-3-ylmethanol
CID 12905096
Isoxazolyl-oxazoline
CID 18989369
Dioxymethylfurazan
CID 66718249
Ethyl 1,2-oxazole-3-carboxylate;2,2,2-trifluoroacetic acid
CID 177712389
3-(Oxan-2-yloxymethyl)-1,2-oxazole
CID 17953225
Cyclopropylmethyl 1,2-oxazole-3-carboxylate
CID 20325095
3-(2-Chloroethoxymethyl)isoxazole
CID 20557662
3-(Methoxymethyl)-1,2-oxazole
CID 23080901
(3-Isoxazolyl)methoxyamine hydrochloride
CID 23315718
O-[(1,2-oxazol-3-yl)methyl]hydroxylamine
CID 23315719

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-3-ylmethoxy)butan-1-ol?
The IUPAC name of 4-(1,2-oxazol-3-ylmethoxy)butan-1-ol (CID 153330180) is 4-(1,2-oxazol-3-ylmethoxy)butan-1-ol.
What is the SMILES notation for 4-(1,2-oxazol-3-ylmethoxy)butan-1-ol?
The canonical SMILES for 4-(1,2-oxazol-3-ylmethoxy)butan-1-ol is OCCCCOCc1ccon1.
What is the InChIKey of 4-(1,2-oxazol-3-ylmethoxy)butan-1-ol?
The InChIKey is BLALSGPZRDNOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-4-1-2-5-11-7-8-3-6-12-9-8/h3,6,10H,1-2,4-5,7H2.
What are the key properties of 4-(1,2-oxazol-3-ylmethoxy)butan-1-ol?
4-(1,2-oxazol-3-ylmethoxy)butan-1-ol has a molecular weight of 171.20 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-3-ylmethoxy)butan-1-ol is sourced from PubChem (CID 153330180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).