(4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one

C10H18ClNO2 — CID 18658071

IUPAC(4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one
SMILESCCC(C)[C@H]1COC(=O)N1CCCCl
InChIInChI=1S/C10H18ClNO2/c1-3-8(2)9-7-14-10(13)12(9)6-4-5-11/h8-9H,3-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyQPCBUZACAWXVRQ-YGPZHTELSA-N
MW219.71 g/mol
LogP2.48
Rot. Bonds5

About (4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one

(4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one (PubChem CID 18658071) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is (4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one
PubChem CID18658071
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name(4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one
SMILESCCC(C)[C@H]1COC(=O)N1CCCCl
InChIInChI=1S/C10H18ClNO2/c1-3-8(2)9-7-14-10(13)12(9)6-4-5-11/h8-9H,3-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyQPCBUZACAWXVRQ-YGPZHTELSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4S,5S)-5-(2-chloroethyl)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 18633337
(4S)-3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one
CID 18658073
(4S)-3-(3-chloropropyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 18658074
3-(3-Chloropropyl)-4-propyl-1,3-oxazolidin-2-one
CID 19612530
4-Butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one
CID 19612546
5-(4-Chlorobutyl)-3-(1-methylethyl)-2-oxazolidinone
CID 19811479
4-(1-Chloropropyl)-3-methyl-1,3-oxazolidin-2-one
CID 19836739
3-(3-Chloropropyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22386783
4-[(3-Chloro)propyl]-3-methyl-2-oxazolidinone
CID 54539155
3-(3-Chloropropyl)-4-ethyl-1,3-oxazolidin-2-one
CID 57008625
4-(2-Methylpropyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 68103626
4-Butan-2-yl-3-methyl-1,3-oxazolidin-2-one
CID 123549002

Frequently Asked Questions

What is the IUPAC name of (4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one (CID 18658071) is (4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one is CCC(C)[C@H]1COC(=O)N1CCCCl.
What is the InChIKey of (4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one?
The InChIKey is QPCBUZACAWXVRQ-YGPZHTELSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-3-8(2)9-7-14-10(13)12(9)6-4-5-11/h8-9H,3-7H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of (4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one?
(4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one has a molecular weight of 219.71 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-butan-2-yl-3-(3-chloropropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 18658071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).