(4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C10H18ClNO — CID 58510235

IUPAC(4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C(C)(C)CCl)=N1
InChIInChI=1S/C10H18ClNO/c1-7(2)8-5-13-9(12-8)10(3,4)6-11/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyKKZCAJJMWXCQPL-MRVPVSSYSA-N
MW203.71 g/mol
LogP2.70
Rot. Bonds3

About (4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 58510235) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is (4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID58510235
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name(4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C(C)(C)CCl)=N1
InChIInChI=1S/C10H18ClNO/c1-7(2)8-5-13-9(12-8)10(3,4)6-11/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyKKZCAJJMWXCQPL-MRVPVSSYSA-N
XLogP2.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 58510235) is (4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(C(C)(C)CCl)=N1.
What is the InChIKey of (4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is KKZCAJJMWXCQPL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-7(2)8-5-13-9(12-8)10(3,4)6-11/h7-8H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of (4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 203.71 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 58510235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).