5-methyl-3-propyl-4,5-dihydro-1,2-oxazole

C7H13NO — CID 23397000

IUPAC5-methyl-3-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1=NOC(C)C1
InChIInChI=1S/C7H13NO/c1-3-4-7-5-6(2)9-8-7/h6H,3-5H2,1-2H3
InChIKeyUAAUMQKRPPOTBZ-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.95
Rot. Bonds2

About 5-methyl-3-propyl-4,5-dihydro-1,2-oxazole

5-methyl-3-propyl-4,5-dihydro-1,2-oxazole (PubChem CID 23397000) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-methyl-3-propyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-propyl-4,5-dihydro-1,2-oxazole
PubChem CID23397000
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-methyl-3-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1=NOC(C)C1
InChIInChI=1S/C7H13NO/c1-3-4-7-5-6(2)9-8-7/h6H,3-5H2,1-2H3
InChIKeyUAAUMQKRPPOTBZ-UHFFFAOYSA-N
XLogP1.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12228202
5-Methyl-3-pentyl-4,5-dihydro-1,2-oxazole
CID 23396999
5-Hexyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 12794211
3,5-Dibutyl-4,5-dihydro-1,2-oxazole
CID 121216456
5-Methyl-3-octyl-4,5-dihydro-1,2-oxazole
CID 164671064
(5R)-3-ethyl-5-[(1R)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole
CID 101334638
(5R)-3-ethyl-5-[(1S)-1-fluorodecyl]-4,5-dihydro-1,2-oxazole
CID 101334639
3-Propyl-4,5-dihydroisoxazole-5-carbonitrile
CID 15315218
3-Propyl-4,5-dihydro-1,2-oxazole
CID 11708053
3-Butyl-4,5-dihydro-1,2-oxazole
CID 12415358
3-ethyl-5,6-dihydro-4H-1,2-oxazine
CID 12719500
3-Methyl-4,5,6,7-tetrahydrooxazepine
CID 12958754

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-methyl-3-propyl-4,5-dihydro-1,2-oxazole (CID 23397000) is 5-methyl-3-propyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-propyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-methyl-3-propyl-4,5-dihydro-1,2-oxazole is CCCC1=NOC(C)C1.
What is the InChIKey of 5-methyl-3-propyl-4,5-dihydro-1,2-oxazole?
The InChIKey is UAAUMQKRPPOTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-4-7-5-6(2)9-8-7/h6H,3-5H2,1-2H3.
What are the key properties of 5-methyl-3-propyl-4,5-dihydro-1,2-oxazole?
5-methyl-3-propyl-4,5-dihydro-1,2-oxazole has a molecular weight of 127.19 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 23397000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).