4-methyl-3-pentyl-1,3-oxazolidin-2-one

C9H17NO2 — CID 11378760

IUPAC4-methyl-3-pentyl-1,3-oxazolidin-2-one
SMILESCCCCCN1C(=O)OCC1C
InChIInChI=1S/C9H17NO2/c1-3-4-5-6-10-8(2)7-12-9(10)11/h8H,3-7H2,1-2H3
InChIKeyBKMQCRXFQNUSTR-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.02
Rot. Bonds4

About 4-methyl-3-pentyl-1,3-oxazolidin-2-one

4-methyl-3-pentyl-1,3-oxazolidin-2-one (PubChem CID 11378760) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-methyl-3-pentyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3-pentyl-1,3-oxazolidin-2-one
PubChem CID11378760
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-methyl-3-pentyl-1,3-oxazolidin-2-one
SMILESCCCCCN1C(=O)OCC1C
InChIInChI=1S/C9H17NO2/c1-3-4-5-6-10-8(2)7-12-9(10)11/h8H,3-7H2,1-2H3
InChIKeyBKMQCRXFQNUSTR-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-didecyl-1,3-oxazolidin-2-one
CID 69088250
(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one
CID 150010367
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
4-(2-aminoethyl)-3-pentyl-1,3-oxazinan-2-one
CID 117010915
3-(7-methyloctyl)-4-propyl-1,3-oxazolidin-2-one
CID 58234740
3-(2-chloroethyl)-4-(2-oxodecyl)-1,3-oxazolidin-2-one
CID 11507750
4-methyl-3-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 170761423
3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115102311
1-decyl-3,7-dimethyl-1,4-diazepane-2,5-dione
CID 64882753
3-octyl-1,3-oxazolidin-2-one
CID 3565999
3-octadecyl-1,3-oxazolidin-2-one
CID 59720965
5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
CID 126662409

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pentyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3-pentyl-1,3-oxazolidin-2-one (CID 11378760) is 4-methyl-3-pentyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-3-pentyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3-pentyl-1,3-oxazolidin-2-one is CCCCCN1C(=O)OCC1C.
What is the InChIKey of 4-methyl-3-pentyl-1,3-oxazolidin-2-one?
The InChIKey is BKMQCRXFQNUSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-4-5-6-10-8(2)7-12-9(10)11/h8H,3-7H2,1-2H3.
What are the key properties of 4-methyl-3-pentyl-1,3-oxazolidin-2-one?
4-methyl-3-pentyl-1,3-oxazolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pentyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11378760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).