5-methyl-4,5-dihydro-1,3-oxazole;phosphane

C4H10NOP — CID 175808973

IUPAC5-methyl-4,5-dihydro-1,3-oxazole;phosphane
SMILESCC1CN=CO1.P
InChIInChI=1S/C4H7NO.H3P/c1-4-2-5-3-6-4;/h3-4H,2H2,1H3;1H3
InChIKeySWBKTSYXFBQYLV-UHFFFAOYSA-N
MW119.10 g/mol
LogP0.49
Rot. Bonds

About 5-methyl-4,5-dihydro-1,3-oxazole;phosphane

5-methyl-4,5-dihydro-1,3-oxazole;phosphane (PubChem CID 175808973) has the molecular formula C4H10NOP and a molecular weight of 119.10 g/mol. Its IUPAC name is 5-methyl-4,5-dihydro-1,3-oxazole;phosphane.

Molecular Properties

Compound Name5-methyl-4,5-dihydro-1,3-oxazole;phosphane
PubChem CID175808973
Molecular FormulaC4H10NOP
Molecular Weight119.10 g/mol
Exact Mass119.05
IUPAC Name5-methyl-4,5-dihydro-1,3-oxazole;phosphane
SMILESCC1CN=CO1.P
InChIInChI=1S/C4H7NO.H3P/c1-4-2-5-3-6-4;/h3-4H,2H2,1H3;1H3
InChIKeySWBKTSYXFBQYLV-UHFFFAOYSA-N
XLogP0.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.10
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4,5-dihydro-1,3-oxazole
CID 123622722
5-[chloro(difluoro)methyl]-4,5-dihydro-1,3-oxazole
CID 55252873
(5R)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 91555528
5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole
CID 142422179
methyl (2R)-2-methyl-2,3-dihydrofuran-4-carboxylate
CID 97303919
6-methylmorpholine-2-carbaldehyde
CID 174675793
5-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazole
CID 23329911
(3R,4S)-3,4-dimethyl-3,4-dihydro-2H-pyrrole
CID 59584722
(6R)-6-methyl-1,3,4-oxathiazinane 3,3-dioxide
CID 169449032
formamide;3-methylpyrrolidine
CID 143474557
CID 59694554
CID 59694554
5-methyl-2-[4-(5-methyl-6-oxo-4,5-dihydro-1,3-oxazin-2-yl)phenyl]-4,5-dihydro-1,3-oxazin-6-one
CID 19881966

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5-dihydro-1,3-oxazole;phosphane?
The IUPAC name of 5-methyl-4,5-dihydro-1,3-oxazole;phosphane (CID 175808973) is 5-methyl-4,5-dihydro-1,3-oxazole;phosphane.
What is the SMILES notation for 5-methyl-4,5-dihydro-1,3-oxazole;phosphane?
The canonical SMILES for 5-methyl-4,5-dihydro-1,3-oxazole;phosphane is CC1CN=CO1.P.
What is the InChIKey of 5-methyl-4,5-dihydro-1,3-oxazole;phosphane?
The InChIKey is SWBKTSYXFBQYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.H3P/c1-4-2-5-3-6-4;/h3-4H,2H2,1H3;1H3.
What are the key properties of 5-methyl-4,5-dihydro-1,3-oxazole;phosphane?
5-methyl-4,5-dihydro-1,3-oxazole;phosphane has a molecular weight of 119.10 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,5-dihydro-1,3-oxazole;phosphane is sourced from PubChem (CID 175808973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).